SCHEMBL3620906

SCHEMBL3620906

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
PKM P14618 1/20 0.49
NFKB1 P19838 1/20 0.49
RAB9A P51151 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPK1 P28482 1/20 0.49
AKR1B1 P15121 1/20 0.48
SLC7A5 Q01650 1/20 0.47
CYP4Z1 Q86W10 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
SLC22A12 Q96S37 1/20 0.46
PPID Q08752 1/20 0.45
KMT2A Q03164 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.43

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
SCHEMBL6511742 1.00 PAM (0.51) PAML3MBTL1SMN1; SMN2NPC1PKM
SCHEMBL68412 0.93 L3MBTL1 (0.50) PAML3MBTL1SMN1; SMN2NPC1PKM
Phenylacetic Acid SCHEMBL28334050 0.89 PAM (0.65) PAML3MBTL1SMN1; SMN2NPC1PKM
SCHEMBL1515865 0.88 L3MBTL1 (0.49) PAML3MBTL1SMN1; SMN2NPC1PKM
SCHEMBL1810196 0.87 L3MBTL1 (0.47) PAML3MBTL1SMN1; SMN2NPC1PKM
SCHEMBL2457851 0.86 SLC7A5 (0.47) PAML3MBTL1SMN1; SMN2NPC1PKM
SCHEMBL1401401 0.86 L3MBTL1 (0.46) PAML3MBTL1SMN1; SMN2NPC1PKM
SCHEMBL5034285 0.85 CYP4Z1 (0.59) PAML3MBTL1SMN1; SMN2NPC1PKM
SCHEMBL2630609 0.85 PPARA (0.51) PAML3MBTL1SMN1; SMN2NPC1PKM
SCHEMBL5725282 0.85 LOXL2 (0.49) PAML3MBTL1SMN1; SMN2NPC1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113549010-B Preparation and application of compound with AMPK (AMPK) agonistic activity and prodrug thereof 中国科学院上海药物研究所 2023-10-20 CN disclosed
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-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-9938267-B2 Heterocyclic inhibitors of glutaminase CALITHERA BIOSCIENCES, INC. (US) 2018-04-10 US disclosed
US-20150004134-A1 TREATMENT OF CANCER WITH HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES, INC. (US) 2015-01-01 US disclosed
US-20140369961-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. 2014-12-18 US disclosed
US-20140050699-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. (US) 2014-02-20 US disclosed
US-20130157998-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. (US) 2013-06-20 US 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
US-20050171147-A1 Sulfonamide derivatives for the treatment of diseases PFIZER INC. 2005-08-04 US disclosed
US-20050014763-A1 2-Amino-pyridine derivatives useful for the treatment of diseases PFIZER INC 2005-01-20 US disclosed
WO-2004108676-A1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS PFIZER LIMITED (GB) 2004-12-16 WO disclosed
EP-0714893-B1 2-substituted benzothiazole derivatives useful in the treatment of diabetic complications GRELAN PHARMACEUTICAL CO (JP) 1998-10-21 EP disclosed
US-5700819-A ALDOSE REDUCTASE ENZYME INHIBITOR GRELAN PHARMACEUTICAL CO., LTD. (JP) 1997-12-23 US disclosed
EP-0714893-A1 2-substituted benzothiazole derivatives useful in the treatment of diabetic complications GRELAN PHARMACEUTICAL CO., LTD. (JP) 1996-06-05 EP 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-20140050699-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL PAM 1568/4885L3MBTL1 4146/4885SMN1; SMN2 4375/4885
US-20190315733-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL PAM 1568/4885L3MBTL1 4146/4885SMN1; SMN2 4375/4885
US-20050014763-A1 2-Amino-pyridine derivatives useful for the treatment of diseases PAH, AADAT, IL4I1 PAM 206/4885L3MBTL1 4476/4885SMN1; SMN2 2010/4885
US-20200165238-A1 Heterocyclic Inhibitors of Glutaminase GLS, GLS2, GLUL PAM 1568/4885L3MBTL1 4146/4885SMN1; SMN2 4375/4885
US-20140369961-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL PAM 1568/4885L3MBTL1 4146/4885SMN1; SMN2 4375/4885
US-20150004134-A1 TREATMENT OF CANCER WITH HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL PAM 1524/4885L3MBTL1 3377/4885SMN1; SMN2 4454/4885
US-20050171147-A1 Sulfonamide derivatives for the treatment of diseases SULT2A1, STS, SULT1A1 PAM 710/4885L3MBTL1 4767/4885SMN1; SMN2 697/4885
US-20050215542-A1 Compounds for the treatment of diseases LTC4S, LTB4R2, EPX PAM 1753/4885L3MBTL1 3847/4885SMN1; SMN2 1244/4885
US-20050215590-A1 Formamide derivatives for the treatment of diseases FH, FAH, HRH4 PAM 1149/4885L3MBTL1 4748/4885SMN1; SMN2 1653/4885
US-20130157998-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL PAM 1568/4885L3MBTL1 4146/4885SMN1; SMN2 4375/4885

“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.