SCHEMBL192831

SCHEMBL192831

Cc1cc(C(F)(F)F)n[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.44
MAPT P10636 1/20 0.42
HCAR2 Q8TDS4 2/20 0.39
DAO P14920 1/20 0.39
IKBKB O14920 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
PIK3C3 Q8NEB9 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE10A Q9Y233 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL21233312 0.84 MAPT (0.45) DHODHMAPTHCAR2DAOIKBKB
SCHEMBL2481156 0.79 MAPT (0.38) DHODHMAPTHCAR2DAOIKBKB
SCHEMBL179497 0.78 HPGD (0.50) DHODHMAPTHCAR2DAOL3MBTL1
SCHEMBL2581322 0.76 HCAR2 (0.44) DHODHHCAR2HSP90AA1HSP90AB1HPGD
SCHEMBL15375205 0.75 CA2 (0.33) HSP90AA1HSP90AB1
SCHEMBL13184146 0.74 MAPT (0.45) DHODHMAPTHCAR2DAOL3MBTL1
SCHEMBL16743581 0.74 HSP90AA1 (0.37) DHODHIKBKBHSP90AA1HSP90AB1KDM4E
SCHEMBL28833587 0.73 CA2 (0.32) HSP90AA1HSP90AB1TRPA1
SCHEMBL20108 0.73 ALOX15 (0.43) MAPTL3MBTL1HSP90AA1HSP90AB1SMN1; SMN2
SCHEMBL30442982 0.73 ALOX15 (0.43) MAPTL3MBTL1HSP90AA1HSP90AB1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117903114-A Synthesis method of 1- (2- (5-methyl-3- (trifluoromethyl) -1H-pyrazol-1-yl) acetyl) piperidine-4-carbonitrile 山东京博农化科技股份有限公司 2024-04-19 CN claimed
EP-4319758-A1 INHIBITING UBIQUITIN-SPECIFIC PROTEASE 1 (USP1) Forma Therapeutics, Inc. (US) 2024-02-14 EP claimed
CN-116655592-A Preparation method of intermediate of fluorothiazole pyrithione 顺毅南通化工有限公司 2023-08-29 CN claimed
US-20230212157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS ISTITUTO GIANNINA GASLINI (IT) 2023-07-06 US claimed
US-11597723-B2 Pyrazole derivatives for the treatment of cystic fibrosis FONDAZIONE ISTITUTO ITALIANO DI TECHNOLOGIA (IT) 2023-03-07 US claimed
WO-2022216820-A1 INHIBITING UBIQUITIN-SPECIFIC PROTEASE 1 (USP1) FORMA THERAPEUTICS, INC. (US) 2022-10-13 WO claimed
CN-115160269-A Arylcarboxamide derivatives as positive allosteric modulators of NMDAR 北京大学 2022-10-11 CN claimed
CN-114685481-A Preparation method of oxathiapiprolin 南通泰禾化工股份有限公司 2022-07-01 CN claimed
EP-2152664-B1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-09-03 EP claimed
US-8367709-B2 Dipeptide analogs as coagulation factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-05 US claimed
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-08 US claimed
EP-2152664-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS Brystol-Myers Squibb Company (US) 2010-02-17 EP claimed
US-20100022506-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-01-28 US claimed
US-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US claimed
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL -MEYERS SQUIBB COMPANY 2009-07-16 US claimed
WO-2008157162-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-24 WO claimed
EP-1966141-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS Brystol-Myers Squibb Company (US) 2008-09-10 EP claimed
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB CO. 2008-07-03 US claimed
WO-2007070818-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO claimed
WO-2007070816-A2 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 DHODH 4279/4885MAPT 813/4885HCAR2 1392/4885
US-20230212157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCC5, ABCC1 DHODH 3150/4885MAPT 4663/4885HCAR2 3796/4885
US-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS TFPI, F12, F11 DHODH 3490/4885MAPT 759/4885HCAR2 2678/4885
US-11597723-B2 Pyrazole derivatives for the treatment of cystic fibrosis CFTR, ABCC5, ABCC3 DHODH 3111/4885MAPT 4662/4885HCAR2 3821/4885
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS TFPI, F11, F12 DHODH 3201/4885MAPT 726/4885HCAR2 1516/4885
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS F11, TFPI, SERPINC1 DHODH 1341/4885MAPT 406/4885HCAR2 3024/4885
US-20100022506-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 DHODH 4279/4885MAPT 813/4885HCAR2 1392/4885

“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.