SCHEMBL68412

SCHEMBL68412

CCOC(=O)Cc1cccc(CC(=O)OCC)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
NPC1 O15118 1/20 0.50
PKM P14618 1/20 0.50
NFKB1 P19838 1/20 0.50
RAB9A P51151 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
PAM P19021 1/20 0.48
SLC7A5 Q01650 1/20 0.47
CYP4Z1 Q86W10 1/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
KMT2A Q03164 3/20 0.46
F10 P00742 1/20 0.46
PPID Q08752 1/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 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
SCHEMBL1515865 0.94 L3MBTL1 (0.49) L3MBTL1SMN1; SMN2ALDH1A1MAPK1NPC1
SCHEMBL6511742 0.93 PAM (0.51) L3MBTL1SMN1; SMN2ALDH1A1MAPK1NPC1
SCHEMBL2457851 0.93 SLC7A5 (0.47) L3MBTL1SMN1; SMN2ALDH1A1MAPK1NPC1
SCHEMBL3620906 0.93 PAM (0.51) L3MBTL1SMN1; SMN2ALDH1A1MAPK1NPC1
SCHEMBL1401401 0.93 L3MBTL1 (0.46) L3MBTL1SMN1; SMN2ALDH1A1MAPK1NPC1
SCHEMBL2630609 0.91 PPARA (0.51) L3MBTL1SMN1; SMN2ALDH1A1MAPK1NPC1
SCHEMBL8150062 0.91 L3MBTL1 (0.45) L3MBTL1SMN1; SMN2ALDH1A1MAPK1NPC1
SCHEMBL1810195 0.91 L3MBTL1 (0.45) L3MBTL1SMN1; SMN2ALDH1A1MAPK1NPC1
SCHEMBL5948910 0.91 FOLH1 (0.46) L3MBTL1SMN1; SMN2ALDH1A1MAPK1NPC1
SCHEMBL31074140 0.91 CYP4F2 (0.48) L3MBTL1SMN1; SMN2ALDH1A1MAPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113549010-A Preparation and application of compound with AMPK agonistic activity and prodrug thereof 中国科学院上海药物研究所 2021-10-26 CN disclosed
US-11111246-B2 Pharmaceutical salts of substituted-quinoxaline-type bridged-piperidine compounds PURDUE PHARMA L.P. (US) 2021-09-07 US disclosed
US-11111246-B2 Pharmaceutical salts of substituted-quinoxaline-type bridged-piperidine compounds PURDUE PHARMA L.P. (US) 2021-09-07 US disclosed
US-20200223847-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2020-07-16 US disclosed
US-20200223847-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2020-07-16 US disclosed
US-20200165238-A1 Heterocyclic Inhibitors of Glutaminase CALITHERA BIOSCIENCES INC. 2020-05-28 US disclosed
US-20190315733-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. 2019-10-17 US disclosed
EP-2782570-B1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC (US) 2019-09-18 EP disclosed
US-20180370971-A1 Substituted-Quinoxaline-Type Bridged-Piperidine Compounds and the Uses Thereof PURDUE PHARMA L.P. 2018-12-27 US disclosed
US-20180148449-A1 Substituted-Quinoxaline-Type Bridged-Piperidine Compounds and the Uses Thereof PURDUE PHARMA L.P. 2018-05-31 US disclosed
WO-2005092840-A1 FORMAMIDE DERIVATIVES USEFUL AS ADRENOCEPTOR PFIZER LIMITED (GB) 2005-10-06 WO disclosed
US-20050222128-A1 Compounds for the treatment of diseases PFIZER INC 2005-10-06 US disclosed
WO-2005092860-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES PFIZER LIMITED (GB) 2005-10-06 WO disclosed
US-20050215590-A1 Formamide derivatives for the treatment of diseases PFIZER LIMITED (GB) 2005-09-29 US disclosed
US-20050215542-A1 Compounds for the treatment of diseases PFIZER INC 2005-09-29 US disclosed
EP-1574501-A1 Quinolinone derivatives, pharmaceutical compositions containing them and their use Pfizer Limited (GB) 2005-09-14 EP disclosed
WO-2005080324-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER LIMITED (GB) 2005-09-01 WO disclosed
WO-2005080313-A2 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER LIMITED (GB) 2005-09-01 WO disclosed
US-20050182091-A1 For therapy of asthma or chronic obstructive pulmonary disease (COPD) in a mammal PFIZER INC. 2005-08-18 US disclosed
US-20050171147-A1 Sulfonamide derivatives for the treatment of diseases PFIZER INC. 2005-08-04 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 (11 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-20190315733-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL L3MBTL1 4146/4885SMN1; SMN2 4375/4885ALDH1A1 639/4885
US-11111246-B2 Pharmaceutical salts of substituted-quinoxaline-type bridged-piperidine compounds QDPR, P2RX4, P2RX5 L3MBTL1 4667/4885SMN1; SMN2 1041/4885ALDH1A1 800/4885
US-20200165238-A1 Heterocyclic Inhibitors of Glutaminase GLS, GLS2, GLUL L3MBTL1 4146/4885SMN1; SMN2 4375/4885ALDH1A1 639/4885
US-20050182091-A1 For therapy of asthma or chronic obstructive pulmonary disease (COPD) in a mammal LTC4S, LTB4R2, LTB4R L3MBTL1 2316/4885SMN1; SMN2 3194/4885ALDH1A1 130/4885
US-20180370971-A1 Substituted-Quinoxaline-Type Bridged-Piperidine Compounds and the Uses Thereof P2RX4, OPRK1, QDPR L3MBTL1 2731/4885SMN1; SMN2 571/4885ALDH1A1 709/4885
US-20200223847-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF P2RX4, OPRK1, QDPR L3MBTL1 2731/4885SMN1; SMN2 571/4885ALDH1A1 709/4885
US-20050171147-A1 Sulfonamide derivatives for the treatment of diseases SULT2A1, STS, SULT1A1 L3MBTL1 4767/4885SMN1; SMN2 697/4885ALDH1A1 178/4885
US-20050215542-A1 Compounds for the treatment of diseases LTC4S, LTB4R2, EPX L3MBTL1 3847/4885SMN1; SMN2 1244/4885ALDH1A1 152/4885
US-20050222128-A1 Compounds for the treatment of diseases LTC4S, LTB4R2, CYP11B2 L3MBTL1 3963/4885SMN1; SMN2 1291/4885ALDH1A1 128/4885
US-20050215590-A1 Formamide derivatives for the treatment of diseases FH, FAH, HRH4 L3MBTL1 4748/4885SMN1; SMN2 1653/4885ALDH1A1 160/4885
US-20180148449-A1 Substituted-Quinoxaline-Type Bridged-Piperidine Compounds and the Uses Thereof P2RX4, OPRK1, QDPR L3MBTL1 2731/4885SMN1; SMN2 571/4885ALDH1A1 709/4885

“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.