SCHEMBL144187

SCHEMBL144187

Fc1[c]ccc(C(F)(F)F)c1F

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PDE2A O00408 1/20 0.30

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
SCHEMBL18527600 0.82
SCHEMBL19356855 0.82
SCHEMBL1445741 0.79
SCHEMBL28879597 0.73 KIF11 (0.35)
SCHEMBL81363 0.71 ALDH1A1 (0.39) IDO1TDO2ALDH1A1POLBTDP1
SCHEMBL3098250 0.70 KIF11 (0.39) ALDH1A1
SCHEMBL28453327 0.70 PDE2A (0.45) IDO1TDO2ALDH1A1POLBTDP1
SCHEMBL78405 0.69
SCHEMBL1567636 0.67 EPHX2 (0.35) PDE2A
SCHEMBL19327215 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210277014-A1 (S)-3-(2-(4-(BENZYL)-3-OXOPIPERAZIN-1-YL)ACETAMIDO)-4-OXO-5-(2,3,5,6-TETRAFLUOROPHENOXY)PENTANOIC ACID DERIVATIVES AND RELATED COMPOUNDS AS CASPASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES HISTOGEN, INC. 2021-09-09 US claimed
EP-3814327-A1 (S)-3-(2-(4-(BENZYL)-3-OXOPIPERAZIN-1-YL)ACETAMIDO)-4-OXO-5-(2,3,5,6-TETRAFLUOROPHENOXY)PENTANOIC ACID DERIVATIVES AND RELATED COMPOUNDS AS CASPASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES Histogen, Inc. (US) 2021-05-05 EP claimed
EP-2623101-B1 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2021-04-21 EP claimed
US-10584128-B2 Bicyclic dihydropyrimidine-carboxamide derivatives as Rho-Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2020-03-10 US claimed
EP-3558999-A1 BICYCLIC DIHYDROPYRIMIDINE-CARBOXAMIDE DERIVATIVES AS RHO-KINASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2019-10-30 EP claimed
CN-110062758-A BICYCLIC DIHYDROPYRIMIDINE-CARBOXAMIDE DERIVATIVES AS RHO-KINASE INHIBITORS 奇斯药制品公司 2019-07-26 CN claimed
WO-2018115383-A1 BICYCLIC DIHYDROPYRIMIDINE-CARBOXAMIDE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2018-06-28 WO claimed
US-20180170939-A1 BICYCLIC DIHYDROPYRIMIDINE-CARBOXAMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTISI S.p.A. (IT) 2018-06-21 US claimed
EP-2853523-B1 Process for producing fluorine-containing biaryl compound DAIKIN IND LTD (JP) 2018-05-30 EP claimed
WO-2016201052-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2016-12-15 WO claimed
US-7514566-B2 Thiazole compounds and methods of use AMGEN, INC. (US) 2009-04-07 US claimed
WO-2009011871-A2 THIADIAZOLE MODULATORS OF PKB AMGEN INC. (US) 2009-01-22 WO claimed
WO-2009011880-A2 HETEROCYCLIC MODULATORS OF PKB AMGEN INC. (US) 2009-01-22 WO claimed
EP-1981884-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B (PKB) INHIBITORS Amgen, Inc (US) 2008-10-22 EP claimed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US claimed
WO-2007084391-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B ( PKB) INHIBITORS AMGEN INC. (US) 2007-07-26 WO claimed
US-20070173506-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2007-07-26 US claimed
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO claimed
US-20040152903-A1 6-chloro-3-pyridylmethylpropylamine derivatives, preparation process thereof and bactericides KUREHA CORPORATION (JP) 2004-08-05 US claimed
EP-1375483-A1 6-CHLORO-3-PYRIDYLMETHYLPROPYLAMINE DERIVATIVES, PREPARATION PROCESS THEREOF AND BACTERICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2004-01-02 EP 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 (6 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-20180170939-A1 BICYCLIC DIHYDROPYRIMIDINE-CARBOXAMIDE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, CIT IDO1 559/4885TDO2 2124/4885ALDH1A1 1519/4885
US-20210277014-A1 (S)-3-(2-(4-(BENZYL)-3-OXOPIPERAZIN-1-YL)ACETAMIDO)-4-OXO-5-(2,3,5,6-TETRAFLUOROPHENOXY)PENTANOIC ACID DERIVATIVES AND RELATED COMPOUNDS AS CASPASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES CASP1, CASP3, CASP6 IDO1 1859/4885TDO2 2089/4885ALDH1A1 965/4885
US-20070173506-A1 Thiazole compounds and methods of use MTOR, JAK2, PCK2 IDO1 3806/4885TDO2 1903/4885ALDH1A1 2061/4885
US-20040152903-A1 6-chloro-3-pyridylmethylpropylamine derivatives, preparation process thereof and bactericides PGLS, TLR6, UROD IDO1 38/4885TDO2 83/4885ALDH1A1 2464/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR IDO1 80/4885TDO2 269/4885ALDH1A1 362/4885
US-10584128-B2 Bicyclic dihydropyrimidine-carboxamide derivatives as Rho-Kinase inhibitors ROCK1, ROCK2, CIT IDO1 559/4885TDO2 2124/4885ALDH1A1 1519/4885

“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.