SCHEMBL3874777

SCHEMBL3874777

CCCOc1ccc(C(=O)O)c(F)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARA P10276 1/20 0.63
RARB P10826 1/20 0.63
KMT2A Q03164 1/20 0.54
MCL1 Q07820 1/20 0.53
HTT P42858 1/20 0.52
MAOB P27338 3/20 0.51
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KAT6A Q92794 1/20 0.49
MAOA P21397 1/20 0.49
PTPN11 Q06124 1/20 0.48
PDE10A Q9Y233 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47

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
SCHEMBL7825340 0.94 RARB (0.71) RARARARBMCL1MAOBPTPN11
SCHEMBL1583118 0.89 RARB (0.66) RARARARBMCL1PTPN11
SCHEMBL7821266 0.89 RARB (0.66) RARARARBMCL1PTPN11
SCHEMBL7814595 0.89 RARB (0.66) RARARARBMCL1PTPN11
SCHEMBL7824715 0.89 RARB (0.66) RARARARBMCL1PTPN11
SCHEMBL9626748 0.89 RARB (0.66) RARARARBMCL1PTPN11
Hydrochloric Acid SCHEMBL9626908 0.88 RARB (0.64) RARARARBMCL1PTPN11
Hydrochloric Acid SCHEMBL9650215 0.88 RARB (0.64) RARARARBMCL1PTPN11
SCHEMBL13366264 0.87 RARA (0.55) RARARARBMAOBKAT6AMAOA
SCHEMBL5647136 0.86 RARA (0.66) RARARARBMCL1MAOBMAOA

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001020995-A9 COMPOUNDS DIRECTED AGAINST PILUS BIOGENESIS AND ACTIVITY IN PATHOGENIC BACTERIA; METHODS AND COMPOSITIONS FOR SYNTHESIS THEREOF UNIV WASHINGTON (US) 2002-11-14 WO claimed
WO-2001020995-A1 COMPOUNDS DIRECTED AGAINST PILUS BIOGENESIS AND ACTIVITY IN PATHOGENIC BACTERIA; METHODS AND COMPOSITIONS FOR SYNTHESIS THEREOF WASHINGTON UNIVERSITY (US) 2001-03-29 WO claimed
US-4020059-A Process for preparing tertiary amines NIPPON SHOKUBAI KAGAKU KOGYO CO., LTD. (JA) 1977-04-26 US claimed
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-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
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
CN-1111167-C 3 beta-hydroxy-5-cholenic acid ester derivant, synthesis process and use thereof SHANGHAI INST ORGANIC CHEM (CN) 2003-06-11 CN disclosed
CN-1111169-C Sterol derivative, synthesis method and its application SHANGHAI INST ORGANIC CHEM (CN) 2003-06-11 CN disclosed
WO-2001020995-A9 COMPOUNDS DIRECTED AGAINST PILUS BIOGENESIS AND ACTIVITY IN PATHOGENIC BACTERIA; METHODS AND COMPOSITIONS FOR SYNTHESIS THEREOF UNIV WASHINGTON (US) 2002-11-14 WO disclosed
CN-1263104-A Sterol derivative, synthesis method and its application SHANGHAI INST ORGANIC CHEM (CN) 2000-08-16 CN disclosed
CN-1257077-A 3 beta-hydroxy-5-cholenic acid ester derivant, synthesis process and use thereof SHANGHAI INST ORGANIC CHEM (CN) 2000-06-21 CN disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
US-5998660-A BY-PRODUCT INHIBITION UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1999-12-07 US disclosed
EP-0855996-A1 OXIDATION OF ALDEHYDES TO CARBOXYLIC ACIDS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1998-08-05 EP disclosed
US-5739352-A Process for preparing carboxylic acids UNITED CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1998-04-14 US disclosed
WO-1997014668-A9 OXIDATION OF ALDEHYDES TO CARBOXYLIC ACIDS 1997-08-07 WO disclosed
WO-1997014668-A1 OXIDATION OF ALDEHYDES TO CARBOXYLIC ACIDS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1997-04-24 WO disclosed
US-4020059-A Process for preparing tertiary amines NIPPON SHOKUBAI KAGAKU KOGYO CO., LTD. (JA) 1977-04-26 US 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-20060063796-A1 Pyrazoles as inhibitors of tumor necrosis factor TNF, LITAF, MAPK1 RARA 3509/4885RARB 2930/4885KMT2A 4746/4885

“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.