SCHEMBL1017

SCHEMBL1017

CCCc1cc(C(=O)O)n(CC)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRN P28799 5/20 0.43
SORT1 Q99523 5/20 0.43
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
MAPT P10636 1/20 0.37
HCAR3 P49019 1/20 0.36
NPC1 O15118 1/20 0.36
GPR35 Q9HC97 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL9468599 0.90 KDM5A (0.43) GRNSORT1KDM4EALDH1A1LMNA
SCHEMBL3572670 0.85 GRN (0.45) GRNSORT1KDM4EALDH1A1LMNA
SCHEMBL22151654 0.83 GRN (0.40) GRNSORT1POLBALDH1A1LMNA
SCHEMBL727 0.82 POLB (0.51) GRNSORT1KDM4EPOLBALDH1A1
SCHEMBL28251767 0.81 ALDH1A1 (0.41) GRNSORT1KDM4EPOLBALDH1A1
SCHEMBL1299 0.80 SMN1; SMN2 (0.45) POLBALDH1A1MAPT
SCHEMBL2215308 0.79 GRN (0.41) GRNSORT1KDM4EPOLBALDH1A1
SCHEMBL25831179 0.79 GRN (0.67) GRNSORT1KDM4EALDH1A1LMNA
SCHEMBL8055438 0.78 POLB (0.42) GRNSORT1KDM4EPOLBALDH1A1
SCHEMBL710008 0.78 MAPT (0.56) GRNSORT1KDM4EPOLBALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080114005-A1 2-Methyl-2-{4-[2-(2-methyl-4-oxo-4H-quinazolin-3-yl)-ethylamino]-phenylsulfanyl}-propionic acid ethyl ester; peroxisome proliferaor activated receptors alfa and gamma agonist; diabetic dyslipidemia, metabolic syndrome, diabetes, non-insulin dependent diabetes, cardiovascular disease, and obesity DR. REDDY'S LABORATORIES LIMITED (IN) 2008-05-15 US disclosed
US-20080114005-A1 2-Methyl-2-{4-[2-(2-methyl-4-oxo-4H-quinazolin-3-yl)-ethylamino]-phenylsulfanyl}-propionic acid ethyl ester; peroxisome proliferaor activated receptors alfa and gamma agonist; diabetic dyslipidemia, metabolic syndrome, diabetes, non-insulin dependent diabetes, cardiovascular disease, and obesity DR. REDDY'S LABORATORIES LIMITED (IN) 2008-05-15 US disclosed
US-6200980-B1 ADMINISTERING PHENYL PURINONE COMPOUND FOR TREATING PRECANCEROUS LEISONS CELL PATHWAYS, INC. 2001-03-13 US disclosed
US-5977378-A Process for the preparation of 1-alkyl-pyrazole-5-carboxylic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1999-11-02 US disclosed
US-5719283-A INHIBITORS OF PHOSPHODIESTERASES; CARDIOVASCULAR DISORDERS PFIZER INC. (US) 1998-02-17 US disclosed
CN-1028758-C Pyrazolopyrimidinone antianginal agents PFIZER (US) 1995-06-07 CN disclosed
EP-0463756-B1 Pyrazolopyrimidinone antianginal agents PFIZER LTD (GB) 1995-04-19 EP disclosed
US-5346901-A Treatment of angina, hypertension, heart failure and atherosclerosis PFIZER INC. (US) 1994-09-13 US disclosed
US-5250534-A Inhibitors of cyclic guanosine 3*,5*-monophosphate phosphodiesterase PFIZER INC. (US) 1993-10-05 US disclosed
EP-0463756-A1 Pyrazolopyrimidinone antianginal agents Pfizer Limited (GB) 1992-01-02 EP disclosed
CN-1057464-A Pyrazolopyrimidinoneantianginal antianginal agents PFIZER (US) 1992-01-01 CN 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 (1 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-20080114005-A1 2-Methyl-2-{4-[2-(2-methyl-4-oxo-4H-quinazolin-3-yl)-ethylamino]-phenylsulfanyl}-propionic acid ethyl ester; peroxisome proliferaor activated receptors alfa and gamma agonist; diabetic dyslipidemia, metabolic syndrome, diabetes, non-insulin dependent diabetes, cardiovascular disease, and obesity PPARA, PPARD, PPARG GRN 4568/4885SORT1 4558/4885KDM4E 2385/4885

“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.