SCHEMBL8098672

SCHEMBL8098672

CCOC(=O)C(O)=CC(=O)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
GAA P10253 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAOB P27338 2/20 0.46
CYP19A1 P11511 1/20 0.45
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
ATM Q13315 1/20 0.44
POLB P06746 1/20 0.43
MAOA P21397 1/20 0.42
CYP1A2 P05177 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
CYP2C19 P33261 1/20 0.41
KYAT1 Q16773 1/20 0.41

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
SCHEMBL14390483 1.00 SMN1; SMN2 (0.48) SMN1; SMN2GAAALDH1A1TDP1MAOB
SCHEMBL4818650 0.98 SMN1; SMN2 (0.47) SMN1; SMN2GAAALDH1A1TDP1MAOB
SCHEMBL4818645 0.98 SMN1; SMN2 (0.47) SMN1; SMN2GAAALDH1A1TDP1MAOB
SCHEMBL6115747 0.87 ALDH1A1 (0.48) SMN1; SMN2GAAALDH1A1TDP1MAOB
SCHEMBL6115744 0.87 ALDH1A1 (0.48) SMN1; SMN2GAAALDH1A1TDP1MAOB
SCHEMBL4016111 0.85 MAPT (0.54) SMN1; SMN2GAAALDH1A1TDP1MAPT
SCHEMBL3578987 0.85 MAPT (0.54) SMN1; SMN2GAAALDH1A1TDP1MAPT
SCHEMBL3578988 0.85 MAPT (0.54) SMN1; SMN2GAAALDH1A1TDP1MAPT
SCHEMBL933633 0.85 USP5 (0.43) SMN1; SMN2ALDH1A1MAPTLMNAPOLB
SCHEMBL933634 0.85 USP5 (0.43) SMN1; SMN2ALDH1A1MAPTLMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070260056-A1 Process for Preparing Bicyclic Pyrazolyl BRANDT THOMAS A 2007-11-08 US disclosed
US-20070027133-A1 BICYCLIC PYRAZOLYL AND IMIDAZOLYL COMPOUNDS AND USES THEREOF PFIZER INC 2007-02-01 US disclosed
US-20050101592-A1 Bicyclic pyrazolyl and imidazolyl compounds and uses thereof PFIZER INC. 2005-05-12 US disclosed
US-6048896-A FOR TREATMENT OF BRAIN OR NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN S.P.A. (IT) 2000-04-11 US disclosed
EP-0858442-A1 4-PHENYL-4-OXO-2-BUTENOIC ACID DERIVATIVES WITH KYNURENINE-3-HYDROXYLASE INHIBITING ACTIVITY PHARMACIA & UPJOHN S.p.A. (IT) 1998-08-19 EP disclosed
WO-1997017316-A1 4-PHENYL-4-OXO-2-BUTENOIC ACID DERIVATIVES WITH KYNURENINE-3-HYDROXYLASE INHIBITING ACTIVITY PHARMACIA & UPJOHN S.P.A. (IT) 1997-05-15 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 (3 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-20070027133-A1 BICYCLIC PYRAZOLYL AND IMIDAZOLYL COMPOUNDS AND USES THEREOF CNR2, CNR1, GPR18 SMN1; SMN2 3390/4885GAA 3711/4885ALDH1A1 1759/4885
US-20050101592-A1 Bicyclic pyrazolyl and imidazolyl compounds and uses thereof CNR2, CNR1, GPR18 SMN1; SMN2 3390/4885GAA 3711/4885ALDH1A1 1759/4885
US-20070260056-A1 Process for Preparing Bicyclic Pyrazolyl CNR1, CNR2, GPR18 SMN1; SMN2 2407/4885GAA 2367/4885ALDH1A1 1465/4885

“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.