SCHEMBL1983309

SCHEMBL1983309

COc1ccc(C(=O)O)c(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 9/20 0.53
AKR1C2 P52895 9/20 0.53
KCNK2 O95069 2/20 0.52
KCNK10 P57789 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
EPHX2 P34913 2/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 1/20 0.49
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 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
SCHEMBL28899309 0.89 NPC1 (0.58) SMN1; SMN2EPHX2NPC1RAB9AALDH1A1
SCHEMBL30938277 0.88 SMN1; SMN2 (0.54) AKR1C3AKR1C2KCNK2SMN1; SMN2EPHX2
SCHEMBL3394380 0.88 ALDH1A1 (0.59) SMN1; SMN2EPHX2NPC1RAB9AKDM4E
SCHEMBL23140494 0.88 SMN1; SMN2 (0.54) AKR1C3AKR1C2KCNK2SMN1; SMN2EPHX2
SCHEMBL5460005 0.86 MAPK10 (0.53) EPHX2NPC1RAB9AKDM4EALDH1A1
SCHEMBL22979384 0.86 KDM4E (0.51) AKR1C3AKR1C2EPHX2NPC1RAB9A
SCHEMBL5729973 0.86 EPHX2 (0.48) AKR1C3AKR1C2SMN1; SMN2EPHX2NPC1
SCHEMBL26020311 0.85 EPHX2 (0.47) AKR1C3AKR1C2SMN1; SMN2EPHX2NPC1
SCHEMBL10222517 0.84 AKR1C3 (0.56) AKR1C3AKR1C2SMN1; SMN2NPC1RAB9A
SCHEMBL19230564 0.83 MAPT (0.48) SMN1; SMN2EPHX2NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3551633-B1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2021-03-31 EP claimed
JP-3135943-A None JP disclosed
CN-118792060-A Ferroelectric nematic liquid crystal molecule, preparation method and application thereof 南京材化电子新材料有限公司 2024-10-18 CN disclosed
US-10308636-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-04 US disclosed
US-10308636-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-04 US disclosed
US-20180362485-A1 N-HYDROXYFORMAMIDE COMPOUNDS AND COMPOSITIONS COMPRISING THEM FOR USE AS BMP l, TLL1 AND/OR TLL2 INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2018-12-20 US disclosed
EP-2862856-B1 IMIDAZOLE AND TRIAZOLE COMPOUNDS AS DGAT-1 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2018-08-01 EP disclosed
EP-2862856-B1 IMIDAZOLE AND TRIAZOLE COMPOUNDS AS DGAT-1 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2018-08-01 EP disclosed
EP-3319961-A1 N-HYDROXYFORMAMIDE COMPOUNDS AND COMPOSITIONS COMPRISING THEM FOR USE AS BMP1, TLL1 AND/OR TLL2 INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2018-05-16 EP disclosed
EP-2804868-B1 PYRAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2017-04-12 EP disclosed
WO-2010034982-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. (SG) 2010-04-01 WO 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-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
EP-0423991-B1 Process for the preparation of 2-trifluoromethyl-4-hydroxybenzoic acid SHOWA SHELL SEKIYU (JP) 1995-06-14 EP disclosed
US-5183934-A 2-trifluoromethyl-4-hydroxybenzoic acid SHOWA SHELL SEKIYU KABUSHIKI KAISHA (JP) 1993-02-02 US disclosed
JP-H03135943-A 2-TRIFLUOROMETHYL-4-HYDROXYBENZOIC ACID SHOWA SHELL SEKIYU KK 1991-06-10 JP disclosed
EP-0423991-A2 Process for the preparation of 2-trifluoromethyl-4-hydroxybenzoic acid Showa Shell Sekiyu Kabushiki Kaisha (JP) 1991-04-24 EP 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 (3 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 AKR1C3 535/4885AKR1C2 727/4885KCNK2 3027/4885
US-10308636-B2 Aromatic heterocyclic compound GPR119, NR0B1, BET1 AKR1C3 317/4885AKR1C2 278/4885KCNK2 1182/4885
US-20180362485-A1 N-HYDROXYFORMAMIDE COMPOUNDS AND COMPOSITIONS COMPRISING THEM FOR USE AS BMP l, TLL1 AND/OR TLL2 INHIBITORS BMP1, BMP2, BMPR1A AKR1C3 3792/4885AKR1C2 3290/4885KCNK2 4320/4885

“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.