SCHEMBL7865663

SCHEMBL7865663

COc1ccc(-c2ccc(C(CCC(=O)O)=NO)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 2/20 0.54
PDE4B Q07343 1/20 0.53
PPARG P37231 1/20 0.52
PPARA Q07869 1/20 0.52
ALDH1A1 P00352 3/20 0.49
CYP1A2 P05177 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HTT P42858 1/20 0.49
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
LMNA P02545 1/20 0.46
ATM Q13315 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
S1PR1 P21453 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
SCHEMBL7865659 1.00 SMN1; SMN2 (0.54) SMN1; SMN2KDM4EPDE4BPPARGPPARA
SCHEMBL28121003 0.95 SMN1; SMN2 (0.58) SMN1; SMN2KDM4EPDE4BPPARGPPARA
SCHEMBL6930119 0.84 NPC1 (0.64) SMN1; SMN2KDM4EPPARGALDH1A1CYP1A2
SCHEMBL6930117 0.84 NPC1 (0.64) SMN1; SMN2KDM4EPPARGALDH1A1CYP1A2
SCHEMBL7431951 0.83 CYP2C19 (0.50) SMN1; SMN2KDM4EPDE4BPPARGPPARA
SCHEMBL7431956 0.83 CYP2C19 (0.50) SMN1; SMN2KDM4EPDE4BPPARGPPARA
SCHEMBL7764810 0.83 KMT2A (0.56) SMN1; SMN2KDM4EPPARGPPARAALDH1A1
SCHEMBL7764807 0.83 KMT2A (0.56) SMN1; SMN2KDM4EPPARGPPARAALDH1A1
SCHEMBL28120573 0.81 PPARG (0.61) PDE4BPPARGPPARAALDH1A1CYP1A2
SCHEMBL7864057 0.81 PDE4B (0.73) SMN1; SMN2PDE4BALDH1A1CYP1A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6239288-B1 RHEUMATIC DISEASES WARNER-LAMBERT COMPANY 2001-05-29 US claimed
US-20010000513-A1 Biphenyl butyric acids and their derivatives as inhibitors of matrix metalloproteinases WARNER-LAMBERT COMPANY 2001-04-26 US claimed
EP-0927156-A1 BIPHENYL BUTYRIC ACIDS AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1999-07-07 EP claimed
WO-1998009940-A1 BIPHENYL BUTYRIC ACIDS AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1998-03-12 WO claimed
US-6307089-B2 Biphenyl butyric acids and their derivatives as inhibitors of matrix metalloproteinases WARNER-LAMBERT COMPANY 2001-10-23 US disclosed
US-6239288-B1 RHEUMATIC DISEASES WARNER-LAMBERT COMPANY 2001-05-29 US disclosed
US-20010000513-A1 Biphenyl butyric acids and their derivatives as inhibitors of matrix metalloproteinases WARNER-LAMBERT COMPANY 2001-04-26 US disclosed
EP-0927156-A1 BIPHENYL BUTYRIC ACIDS AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1999-07-07 EP disclosed
WO-1998009940-A1 BIPHENYL BUTYRIC ACIDS AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1998-03-12 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 (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-20010000513-A1 Biphenyl butyric acids and their derivatives as inhibitors of matrix metalloproteinases MMP26, MMP1, MMP9 SMN1; SMN2 1912/4885KDM4E 3761/4885PDE4B 1128/4885

“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.