SCHEMBL134232

SCHEMBL134232

COP(C)(=O)OC(=O)CCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.60
HSD17B10 Q99714 2/20 0.60
MEN1 O00255 2/20 0.60
ALDH1A1 P00352 7/20 0.53
TDP1 Q9NUW8 1/20 0.53
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
ACHE P22303 1/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL136746 0.92 HPGD (0.53) KMT2AHSD17B10MEN1ALDH1A1TSHR
SCHEMBL28908599 0.82 KMT2A (0.70) KMT2AHSD17B10MEN1ALDH1A1TDP1
SCHEMBL134590 0.77 KMT2A (0.68) KMT2AHSD17B10MEN1ALDH1A1TDP1
SCHEMBL7542052 0.76 HDAC8 (0.67) KMT2AHSD17B10MEN1ALDH1A1TDP1
SCHEMBL7542107 0.76 HDAC8 (0.67) KMT2AHSD17B10MEN1ALDH1A1TDP1
SCHEMBL7548687 0.76 HDAC8 (0.67) KMT2AHSD17B10MEN1ALDH1A1TDP1
SCHEMBL9847185 0.76 HDAC8 (0.67) KMT2AHSD17B10MEN1ALDH1A1TDP1
SCHEMBL7424373 0.76 KMT2A (0.63) KMT2AHSD17B10MEN1ALDH1A1TDP1
SCHEMBL7548208 0.76 HDAC8 (0.67) KMT2AHSD17B10MEN1ALDH1A1TDP1
SCHEMBL8779372 0.76 HDAC8 (0.67) KMT2AHSD17B10MEN1ALDH1A1TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5159108-A Process for preparing an antihypercalcemic agent MERCK & CO., INC. (US) 1992-10-27 US claimed
US-10071110-B2 Phosphonate compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-09-11 US disclosed
US-20170333459-A1 METHODS OF TREATING ORTHOPOX VIRUS INFECTIONS AND ASSOCIATED DISEASES CHIMERIX, INC. 2017-11-23 US disclosed
US-20170239279-A1 PHOSPHONATE COMPOUNDS UNIV CALIFORNIA (US) 2017-08-24 US disclosed
US-9649321-B2 Phosphonate compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-05-16 US disclosed
US-20160303147-A1 METHODS OF REDUCING NEPHROTOXICITY IN SUBJECTS ADMINISTERED WITH NUCLEOSIDE PHOSPHONATES CHIMERIX, INC. 2016-10-20 US disclosed
EP-2155257-B1 METHODS OF REDUCING NEPHROTOXICITY IN SUBJECTS ADMINISTERED WITH NUCLEOSIDE CHIMERIX INC (US) 2016-10-05 EP disclosed
US-20160067268-A1 PHOSPHONATE COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-03-10 US disclosed
US-9206208-B2 Phosphonate compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-12-08 US disclosed
US-20150141375-A1 Methods of Treating Viral Associated Diseases CHIMERIX, INC. 2015-05-21 US disclosed
US-20050182019-A1 An antiviral nucleoside in which the 5'-hydroxyl group has been substituted for a phosphonate or methyl phosphonate that is covalently linked to an alkylethanediol; osteoporosis; anticarcinogenic agents; viricides THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2005-08-18 US disclosed
US-20050176673-A1 guanin-9-yl, adenin-9-yl, 2,6-diaminopurin-9-yl, 2-aminopurin-9-yl or their 1-deaza, 3-deaza, or 8-aza compounds, or cytosin-1-yl - ethoxymethanephosphonic acid derivatives, used to treat osteoporosis and other disorders of bone metabolism, cancer, or viral infections THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2005-08-11 US disclosed
US-20040127735-A1 New phosphonate ester derivatives of drugs such as antivirals cidofovir, adefovir, tenofovir, azidothymidine (AZT), or bisphosphonates such as alendronate, or anticancers such as cytosine arabinoside; side effect reduction, less toxic; antiviral THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-07-01 US disclosed
US-6716825-B2 OSTEOPOROSIS AND OTHER DISORDERS OF BONE METABOLISUM, CANCER, VIRAL INFECTIONS, AND THE LIKE. THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-04-06 US disclosed
US-20040019232-A1 Analogs of phosphonate and bisphosphonate compounds based on bone resorption suppressors (alendronic acid), viricides (cidofovir) and antineoplastic agents (bemcitabine); nontoxic; bioavailability; side effects reduction NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-01-29 US disclosed
EP-1233770-A4 PHOSPHONATE COMPOUNDS UNIV CALIFORNIA AT SAN DIEGO (US) 2003-04-16 EP disclosed
EP-1233770-A2 PHOSPHONATE COMPOUNDS The Regents of The University of California at San Diego (US) 2002-08-28 EP disclosed
WO-2001039724-A2 PHOSPHONATE COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO (US) 2001-06-07 WO disclosed
US-5159108-A Process for preparing an antihypercalcemic agent MERCK & CO., INC. (US) 1992-10-27 US disclosed
US-5039819-A Diphosphonate intermediate for preparing an antihypercalcemic agent MERCK & CO., INC. (US) 1991-08-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050176673-A1 guanin-9-yl, adenin-9-yl, 2,6-diaminopurin-9-yl, 2-aminopurin-9-yl or their 1-deaza, 3-deaza, or 8-aza compounds, or cytosin-1-yl - ethoxymethanephosphonic acid derivatives, used to treat osteoporosis and other disorders of bone metabolism, cancer, or viral infections ENPP1, ADA, ENTPD5 KMT2A 1547/4885HSD17B10 4694/4885MEN1 1346/4885
US-20160303147-A1 METHODS OF REDUCING NEPHROTOXICITY IN SUBJECTS ADMINISTERED WITH NUCLEOSIDE PHOSPHONATES SLC29A1, SLC28A1, PHOSPHO1 KMT2A 3213/4885HSD17B10 1495/4885MEN1 1541/4885
US-10071110-B2 Phosphonate compounds PHPT1, PHOSPHO1, PIK3CA KMT2A 2972/4885HSD17B10 1532/4885MEN1 464/4885
US-20040127735-A1 New phosphonate ester derivatives of drugs such as antivirals cidofovir, adefovir, tenofovir, azidothymidine (AZT), or bisphosphonates such as alendronate, or anticancers such as cytosine arabinoside; side effect reduction, less toxic; antiviral TYMP, ADA, DCTD KMT2A 2595/4885HSD17B10 3803/4885MEN1 1739/4885
US-20040019232-A1 Analogs of phosphonate and bisphosphonate compounds based on bone resorption suppressors (alendronic acid), viricides (cidofovir) and antineoplastic agents (bemcitabine); nontoxic; bioavailability; side effects reduction BPGM, PPA1, INPP5D KMT2A 2795/4885HSD17B10 3804/4885MEN1 843/4885
US-20170239279-A1 PHOSPHONATE COMPOUNDS PHPT1, PHOSPHO1, PIK3CA KMT2A 2972/4885HSD17B10 1532/4885MEN1 464/4885
US-20160067268-A1 PHOSPHONATE COMPOUNDS PHPT1, PHOSPHO1, PIK3CA KMT2A 2972/4885HSD17B10 1532/4885MEN1 464/4885
US-20050182019-A1 An antiviral nucleoside in which the 5'-hydroxyl group has been substituted for a phosphonate or methyl phosphonate that is covalently linked to an alkylethanediol; osteoporosis; anticarcinogenic agents; viricides MTAP, SAMHD1, NT5C3B KMT2A 2617/4885HSD17B10 1043/4885MEN1 2708/4885
US-20170333459-A1 METHODS OF TREATING ORTHOPOX VIRUS INFECTIONS AND ASSOCIATED DISEASES OAT, PNPO, OTC KMT2A 3252/4885HSD17B10 2559/4885MEN1 4608/4885
US-20150141375-A1 Methods of Treating Viral Associated Diseases HAVCR2, EIF2AK2, TSLP KMT2A 2392/4885HSD17B10 1547/4885MEN1 1968/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.