SCHEMBL2116038

SCHEMBL2116038

Cc1ccc(C)n1-c1cccc(C(=O)O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 1.00
ALDH1A1 P00352 6/20 1.00
MYC P01106 6/20 1.00
POLB P06746 5/20 1.00
MEN1 O00255 5/20 1.00
KMT2A Q03164 5/20 1.00
MAPT P10636 4/20 1.00
TDP1 Q9NUW8 3/20 1.00
HSD17B10 Q99714 3/20 1.00
ALOX15 P16050 3/20 1.00
NR4A1 P22736 2/20 1.00
L3MBTL1 Q9Y468 2/20 1.00
GAA P10253 2/20 1.00
PTPN7 P35236 2/20 1.00
USP2 O75604 1/20 1.00
HSPA1A P0DMV8 1/20 1.00
RECQL P46063 1/20 1.00
BLM P54132 1/20 1.00
PKM P14618 2/20 0.74
APEX1 P27695 2/20 0.63

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
SCHEMBL17172463 0.89 POLB (0.79) KDM4EALDH1A1MYCPOLBMEN1
SCHEMBL16720590 0.85 KDM4E (0.74) KDM4EALDH1A1MYCPOLBMEN1
SCHEMBL2831953 0.82 NR4A1 (1.00) KDM4EALDH1A1MYCPOLBMEN1
SCHEMBL17172462 0.80 MYC (0.72) KDM4EALDH1A1MYCPOLBMEN1
SCHEMBL17172446 0.80 KDM4E (0.67) KDM4EALDH1A1MYCPOLBMEN1
SCHEMBL17172469 0.79 KEAP1 (0.64) KDM4EALDH1A1MYCPOLBMEN1
SCHEMBL7823334 0.78 ALDH1A1 (0.67) KDM4EALDH1A1MYCPOLBMEN1
SCHEMBL15331958 0.78 POLB (1.00) KDM4EALDH1A1MYCPOLBMEN1
SCHEMBL4285406 0.78 ALDH1A1 (0.63) KDM4EALDH1A1MYCPOLBMEN1
SCHEMBL11176499 0.77 POLB (0.63) KDM4EALDH1A1MYCPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105240-A1 Methods for treating leukemia and myelodysplastic syndrome, and methods for identifying agents for treating same SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-04-23 US claimed
US-11129835-B2 Methods and compositions for the inhibition of PIN1 BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2021-09-28 US disclosed
US-10980835-B2 Arsenic trioxide for treatment of PIN1-associated disorders BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2021-04-20 US disclosed
US-20200093832-A1 METHODS AND COMPOSITIONS FOR THE INHIBITION OF PIN1 BETH ISRAEL DEACONESS MEDICAL CENTER, INC. 2020-03-26 US disclosed
US-10413548-B2 Methods and compositions for the inhibition of Pin1 BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2019-09-17 US disclosed
EP-2917203-B1 METHOD FOR IDENTIFYING MYC INHIBITORS DANA FARBER CANCER INST INC (US) 2019-04-03 EP disclosed
US-20180153934-A1 ARSENIC TRIOXIDE FOR TREATMENT OF PIN1-ASSOCIATED DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-06-07 US disclosed
US-20180153934-A1 ARSENIC TRIOXIDE FOR TREATMENT OF PIN1-ASSOCIATED DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-06-07 US disclosed
US-20170304310-A1 METHODS AND COMPOSITIONS FOR THE INHIBITION OF PIN1 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-10-26 US disclosed
US-20170304310-A1 METHODS AND COMPOSITIONS FOR THE INHIBITION OF PIN1 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-10-26 US disclosed
US-7264932-B2 Nuclease inhibitor cocktail APPLERA CORPORATION (US) 2007-09-04 US disclosed
US-7264932-B2 Nuclease inhibitor cocktail APPLERA CORPORATION (US) 2007-09-04 US disclosed
US-20050014169-A1 Nuclease inhibitor cocktail AMBION, INC. 2005-01-20 US disclosed
US-20040242868-A1 5-acylamino-1,1'-biphenyl-4-carboxamide derivatives and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2004-12-02 US disclosed
EP-1435934-A1 5'-ACYLAMINO-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-14 EP disclosed
WO-2003032971-A1 5’-ACYLAMINO-1,1’-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-04-24 WO disclosed
EP-0062659-A4 3-(PYRROL-1-YL)PHENYLMETHYL ESTERS AND INTERMEDIATES. FMC CORP (US) 1983-01-14 EP disclosed
EP-0062659-A1 3-(PYRROL-1-YL)PHENYLMETHYL ESTERS AND INTERMEDIATES FMC Corporation (US) 1982-10-20 EP disclosed
US-4339457-A OF CYCLOPROPANECARBOXYLIC ACIDS, INSECTICIDES, MITICIDES FMC CORPORATION (US) 1982-07-13 US disclosed
WO-1982001368-A1 3-(PYRROL-1-YL)PHENYLMETHYL ESTERS AND INTERMEDIATES FMC CORP (US) 1982-04-29 WO 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 (8 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-20040242868-A1 5-acylamino-1,1'-biphenyl-4-carboxamide derivatives and their use as p38 kinase inhibitors MAPK1, MAP3K1, MAPK7 KDM4E 1140/4885ALDH1A1 531/4885MYC 1723/4885
US-20090105240-A1 Methods for treating leukemia and myelodysplastic syndrome, and methods for identifying agents for treating same MCL1, AS3MT, MYADM KDM4E 3465/4885ALDH1A1 210/4885MYC 1076/4885
US-10980835-B2 Arsenic trioxide for treatment of PIN1-associated disorders PIN1, AS3MT, PML KDM4E 3689/4885ALDH1A1 2657/4885MYC 485/4885
US-20200093832-A1 METHODS AND COMPOSITIONS FOR THE INHIBITION OF PIN1 PIN1, FKBP1A, FKBP2 KDM4E 3242/4885ALDH1A1 4586/4885MYC 257/4885
US-20180153934-A1 ARSENIC TRIOXIDE FOR TREATMENT OF PIN1-ASSOCIATED DISORDERS PIN1, AS3MT, PML KDM4E 3689/4885ALDH1A1 2657/4885MYC 485/4885
US-20170304310-A1 METHODS AND COMPOSITIONS FOR THE INHIBITION OF PIN1 PIN1, FKBP1A, FKBP2 KDM4E 3242/4885ALDH1A1 4586/4885MYC 257/4885
US-11129835-B2 Methods and compositions for the inhibition of PIN1 PIN1, FKBP1A, FKBP2 KDM4E 3242/4885ALDH1A1 4586/4885MYC 257/4885
US-10413548-B2 Methods and compositions for the inhibition of Pin1 PIN1, FKBP1A, FKBP2 KDM4E 3242/4885ALDH1A1 4586/4885MYC 257/4885

“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.