SCHEMBL6412848

SCHEMBL6412848

O=C(O)CC/C(=N\O)c1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
BCL2L1 Q07817 1/20 0.52
BAD Q92934 1/20 0.52
KDM4E B2RXH2 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HDAC8 Q9BY41 1/20 0.48
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
RAB9A P51151 2/20 0.46
FFAR1 O14842 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
MME P08473 1/20 0.43
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.41
PTPN1 P18031 1/20 0.41
S1PR1 P21453 1/20 0.41
CTBP2 P56545 1/20 0.40

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
SCHEMBL6412854 1.00 ALDH1A1 (0.54) ALDH1A1BCL2L1BADKDM4ENPSR1
SCHEMBL7857472 0.85 MME (0.49) ALDH1A1KDM4ENPSR1HDAC8PPARG
SCHEMBL7857471 0.85 MME (0.49) ALDH1A1KDM4ENPSR1HDAC8PPARG
SCHEMBL7440265 0.84 ALDH1A1 (0.43) ALDH1A1BCL2L1BADKDM4ENPSR1
SCHEMBL7440277 0.84 ALDH1A1 (0.43) ALDH1A1BCL2L1BADKDM4ENPSR1
SCHEMBL6412949 0.84 ALDH1A1 (0.45) ALDH1A1KDM4ENPSR1HDAC8PPARG
SCHEMBL6412952 0.84 ALDH1A1 (0.45) ALDH1A1KDM4ENPSR1HDAC8PPARG
SCHEMBL4426383 0.83 HDAC8 (0.48) ALDH1A1KDM4EHDAC8RAB9AFFAR1
SCHEMBL10021382 0.83 HDAC8 (0.48) ALDH1A1KDM4EHDAC8RAB9AFFAR1
SCHEMBL7764807 0.83 KMT2A (0.56) ALDH1A1KDM4EHDAC8PPARGPPARA

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 27 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
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-1998025597-A2 METHOD FOR TREATING AND PREVENTING HEART FAILURE AND VENTRICULAR DILATATION WARNER-LAMBERT COMPANY (US) 1998-06-18 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 1814/4885BCL2L1 1584/4885BAD 1301/4885
US-20010000513-A1 Biphenyl butyric acids and their derivatives as inhibitors of matrix metalloproteinases MMP26, MMP1, MMP9 ALDH1A1 573/4885BCL2L1 53/4885BAD 46/4885
US-20050020607-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 ALDH1A1 1814/4885BCL2L1 1584/4885BAD 1301/4885
US-20020049237-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 ALDH1A1 1814/4885BCL2L1 1584/4885BAD 1301/4885

“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.