SCHEMBL6412949

SCHEMBL6412949

O=C(O)CC/C(=N\O)c1ccc(-c2ccc(F)cc2F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 2/20 0.45
TTR P02766 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
DHFR P00374 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
LMNA P02545 1/20 0.45
ALB P02768 1/20 0.45
HMGB1 P09429 1/20 0.45
HPGD P15428 1/20 0.45
CXCL12 P48061 1/20 0.45
KMT2A Q03164 1/20 0.45
HIF1A Q16665 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
ACMSD Q8TDX5 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PPARG P37231 2/20 0.44
PTGS2 P35354 1/20 0.42

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
SCHEMBL6412952 1.00 ALDH1A1 (0.45) ALDH1A1KDM4ETTRMEN1USP2
SCHEMBL7440265 0.92 ALDH1A1 (0.43) ALDH1A1KDM4ETTRMEN1USP2
SCHEMBL7440277 0.92 ALDH1A1 (0.43) ALDH1A1KDM4ETTRMEN1USP2
SCHEMBL6414377 0.87 ALDH1A1 (0.47) ALDH1A1RARBHDAC8NPC1
SCHEMBL6418614 0.87 FASN (0.44) LMNAGCGRRARBSMN1; SMN2
SCHEMBL6414380 0.87 ALDH1A1 (0.47) ALDH1A1RARBHDAC8NPC1
SCHEMBL6418612 0.87 FASN (0.44) LMNAGCGRRARBSMN1; SMN2
SCHEMBL7433362 0.85 APP (0.44) ALDH1A1KDM4ETTRMEN1USP2
SCHEMBL7433367 0.85 APP (0.44) ALDH1A1KDM4ETTRMEN1USP2
SCHEMBL7446294 0.85 S1PR1 (0.44) ALDH1A1MEN1LMNAHPGDKMT2A

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 25 patents — showing the first 20. 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-20050020607-A1 Statin-MMP inhibitor combinations NEWTON ROGER SCHOFIELD (US) 2005-01-27 US disclosed
US-20040176393-A1 Statin-MMP inhibitor combinations NEWTON ROGER SCHOFIELD (US) 2004-09-09 US disclosed
EP-0946166-B1 USE OF MATRIX METALLOPROTEINASE INHIBITORS FOR PROMOTING WOUND HEALING WARNER LAMBERT CO (US) 2004-02-18 EP disclosed
EP-1366765-A1 Use of matrix metalloproteinase inhibitors for treating neurological disorders and promoting wound healing WARNER-LAMBERT COMPANY LLC (US) 2003-12-03 EP disclosed
EP-1047450-B1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER LAMBERT CO (US) 2002-10-02 EP disclosed
US-20020049237-A1 Statin-MMP inhibitor combinations NEWTON ROGER SCHOFIELD (US) 2002-04-25 US disclosed
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
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO disclosed
EP-0946166-A1 USE OF MATRIX METALLOPROTEINASE INHIBITORS FOR TREATING NEUROLOGICAL DISORDERS AND PROMOTING WOUND HEALING WARNER-LAMBERT COMPANY (US) 1999-10-06 EP disclosed
WO-1999047138-A1 STATIN-MATRIX METALLOPROTEINASE INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-09-23 WO disclosed
US-5948780-A ADMINISTERING A METALLOPROTEINASE INHIBITOR WARNER-LAMBERT COMPANY (US) 1999-09-07 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-1999032150-A1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-07-01 WO disclosed
WO-1998026773-A1 USE OF MATRIX METALLOPROTEINASE INHIBITORS FOR TREATING NEUROLOGICAL DISORDERS AND PROMOTING WOUND HEALING WARNER-LAMBERT COMPANY (US) 1998-06-25 WO 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 (4 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-20040176393-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 ALDH1A1 1814/4885KDM4E 1366/4885TTR 1627/4885
US-20010000513-A1 Biphenyl butyric acids and their derivatives as inhibitors of matrix metalloproteinases MMP26, MMP1, MMP9 ALDH1A1 573/4885KDM4E 3761/4885TTR 2289/4885
US-20050020607-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 ALDH1A1 1814/4885KDM4E 1366/4885TTR 1627/4885
US-20020049237-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 ALDH1A1 1814/4885KDM4E 1366/4885TTR 1627/4885

“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.