SCHEMBL1436286

SCHEMBL1436286

O=C1C=CC(=O)C(c2ccc(C(=O)O)cc2)=C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 7/20 0.65
HSD17B3 P37058 1/20 0.63
MAOA P21397 1/20 0.62
MAOB P27338 1/20 0.62
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
MAPT P10636 1/20 0.55
PKM P14618 1/20 0.55
MAPK1 P28482 1/20 0.55
KMT2A Q03164 1/20 0.55
MCL1 Q07820 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
BCL2L1 Q07817 1/20 0.44
BAD Q92934 1/20 0.44
SRD5A2 P31213 1/20 0.41
RXRA P19793 2/20 0.41
DDAH1 O94760 1/20 0.40
RXRB P28702 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
SCHEMBL27169536 0.83 HSD17B3 (0.78) SETD7HSD17B3MAOAMAOBKDM4E
SCHEMBL11578547 0.83 SETD7 (0.68) SETD7HSD17B3MAOAMAOBKDM4E
SCHEMBL10765128 0.78 HSD17B3 (0.64) SETD7HSD17B3MAOAMAOBKDM4E
SCHEMBL10959950 0.78 HSD17B3 (1.00) SETD7HSD17B3MAOAMAOBKDM4E
SCHEMBL26262 0.77 MAOA (1.00) SETD7HSD17B3MAOAMAOBKDM4E
SCHEMBL28119480 0.75 MAOA (0.95) SETD7HSD17B3MAOAMAOBKDM4E
SCHEMBL25834302 0.75 HSD17B3 (0.67) SETD7HSD17B3MAOAMAOBKDM4E
Bromide SCHEMBL27550712 0.75 MAOA (0.95) SETD7HSD17B3MAOAMAOBKDM4E
SCHEMBL11329163 0.75 MAOA (0.95) SETD7HSD17B3MAOAMAOBKDM4E
SCHEMBL3786541 0.74 KDM4E (0.66) SETD7HSD17B3MAOAMAOBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802297-B1 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASE CAUSED BY YERSINIA SPP INFECTION BURNHAM INST (US) 2011-03-30 EP disclosed
US-20090312352-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASE CAUSED BY YERSINIA SPP INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-12-17 US disclosed
US-7541368-B2 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-{3-[1-(1-methyl-cyclopropanecarbonyl)-piperidin-4-ylmethyl]-phenyl}-urea; use in the treatment of disease states capable of being modulated by the inhibition of p38 kinase and tumor necrosis factor (TNF) AVENTIS PHARMACEUTICALS INC. (US) 2009-06-02 US disclosed
EP-1802297-A4 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASE CAUSED BY YERSINIA SPP INFECTION BURNHAM INST (US) 2008-05-28 EP disclosed
EP-1802297-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASE CAUSED BY YERSINIA SPP INFECTION The Burnham Institute (US) 2007-07-04 EP disclosed
EP-1622610-B1 1-(2H-PYRAZOL-3-YL)-3-{4-[1-(BENZOYL)-PIPERIDIN-4-YLMETHYL]-PHENYL}-UREA DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AVENTIS PHARMA INC (US) 2006-12-20 EP disclosed
WO-2006047162-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASE CAUSED BY YERSINIA SPP INFECTION THE BURNHAM INSTITUTE (US) 2006-05-04 WO disclosed
US-20060063796-A1 Pyrazoles as inhibitors of tumor necrosis factor AVENTIS PHARMACEUTICALS INC. (US) 2006-03-23 US disclosed
EP-1622610-A1 1-(2H-PYRAZOL-3-YL)-3- 4-[1-(BENZOYL)-PIPERIDIN-4-YLMETHYL]-PHENYL -UREA DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS Aventis Pharmaceuticals Inc. (US) 2006-02-08 EP disclosed
WO-2004100946-A1 1- (2H-PYRAZOL -3-YL) -3YL) {4-`1- (BENZOYL) -PIPERIDIN-4-YLMETHYL!-PHENYL}-UREA DERIVATIVES AND RELATED COMPOUNDS AS INHBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF IMFLAMMATIONS AVENTIS PHARMACEUTICALS INC. (US) 2004-11-25 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 (2 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-20060063796-A1 Pyrazoles as inhibitors of tumor necrosis factor TNF, LITAF, MAPK1 SETD7 4464/4885HSD17B3 587/4885MAOA 2995/4885
US-20090312352-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASE CAUSED BY YERSINIA SPP INFECTION PTPRS, PTPRO, PTPN5 SETD7 4645/4885HSD17B3 2709/4885MAOA 729/4885

“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.