SCHEMBL2138209

SCHEMBL2138209

O=[C]c1cc(F)c(F)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.33
CES1 P23141 2/20 0.33
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CA4 P22748 2/20 0.31
CA12 O43570 1/20 0.31
CA7 P43166 1/20 0.31
CA13 Q8N1Q1 1/20 0.31

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
SCHEMBL10646394 0.78 CES2 (0.30) CES2CES1
SCHEMBL8039763 0.78 CES2 (0.30) CES2CES1
SCHEMBL8119940 0.78 HDAC1 (0.32)
SCHEMBL8116818 0.78 CES2 (0.30) CES2CES1
SCHEMBL7700727 0.77 TRPV4 (0.33) CES2CES1
SCHEMBL2513757 0.76 TRPV4 (0.30)
SCHEMBL9209444 0.75 HDAC1 (0.31)
SCHEMBL10651560 0.75
SCHEMBL7557368 0.75 TRPV4 (0.39)
SCHEMBL18245388 0.74

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-1506176-B1 AMINOINDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA SRL (IT) 2013-04-24 EP claimed
US-8034936-B2 Spirocyclic cyclohexane compounds useful to treat substance dependency GRUENENTHAL GMBH (DE) 2011-10-11 US claimed
US-20110053970-A1 Spirocyclic Cyclohexane Compounds Useful To Treat Substance Dependency GRUENENTHAL GMBH (DE) 2011-03-03 US claimed
EP-0236673-B1 Process for quinoline-3-carboxylic acid antibacterial agents WARNER LAMBERT CO (US) 1994-07-13 EP claimed
EP-0239992-B1 PROCESS FOR THE PREPARATION OF 2,3,4,5-TETRAFLUOROBENZOYL ACETATES WARNER-LAMBERT COMPANY (US) 1989-09-06 EP claimed
EP-0126355-B1 7-AMINO-1-CYCLOPROPYL-6,8-DIFLUORO-1,4-DIHYDRO-4-OXO-3-QUINOLINE-CARBOXYLIC ACID, PROCESSES FOR THEIR PREPARATION AND ANTIBACTERIAL AGENTS CONTAINING THEM BAYER AG (DE) 1987-09-09 EP claimed
US-20230278955-A1 VITAMIN D3 DERIVATIVES AND PHARMACEUTICAL USE THEREOF UNIV KYOTO (JP) 2023-09-07 US disclosed
EP-4164891-A1 FLUORESCENT COMPOSITION COMPRISING AT LEAST ONE BENZAZOLE COMPOUND FOR THE SECUREMENT OF PRODUCTS Crime Science Technology (FR) 2023-04-19 EP disclosed
WO-2021250358-A1 FLUORESCENT COMPOSITION COMPRISING AT LEAST ONE BENZAZOLE COMPOUND FOR THE SECUREMENT OF PRODUCTS Crime Science Technology (FR) 2021-12-16 WO disclosed
CN-108774219-B Small molecule compound for inhibiting PD-1/PD-L1 and application thereof 中国药科大学 2021-05-04 CN disclosed
CN-109232316-B Synthetic method of alpha-tertiary nitrile structure beta-dicarbonyl compound 昆明学院 2021-03-26 CN disclosed
CN-106674254-B Quinolone carboxylic acid compounds and intermediates, preparation method and application thereof 广东省中医院 2019-03-15 CN disclosed
CN-109251211-A A kind of quinolonecarboxylic acid compound and its intermediate, preparation method and application 广东省中医院(广州中医药大学第二附属医院、广州中医药大学第二临床医学院、广东省中医药科学院) 2019-01-22 CN disclosed
WO-2000004914-A1 NOVEL FLUORESCENCE DYES AND THEIR APPLICATIONS FOR WHOLE CELL FLUORESCENCE SCREENING ASSAYS FOR CASPASES, PEPTIDASES, PROTEASES AND OTHER ENZYMES AND THE USE THEREOF CYTOVIA, INC. (US) 2000-02-03 WO disclosed
EP-0718277-B1 Method for producing 5-substituted-2-acylaminophenols, and 5-alkyl-2-acylaminophenol compound and N-acyl-N-(4-alkyl-phenyl)hydroxylamine compound FUJI PHOTO FILM CO LTD (JP) 1999-07-21 EP disclosed
EP-0718277-A1 Method for producing 5-substituted-2-acylaminophenols, and 5-alkyl-2-acylaminophenol compound and N-acyl-N-(4-alkyl-phenyl)hydroxylamine compound FUJI PHOTO FILM CO., LTD. (JP) 1996-06-26 EP disclosed
EP-0680482-A1 PROCESS FOR THE MANUFACTURE OF A TRICYCLIC COMPOUND. PFIZER (US) 1995-11-08 EP disclosed
US-4977263-A USING CHEMICAL INTERMEDIATES BAYER AKTIENGESELLSCHAFT (DE) 1990-12-11 US disclosed
EP-0274033-A1 Process for the preparation of quinolinecarboxylic acids BAYER AG (DE) 1988-07-13 EP disclosed
EP-0239992-A1 Process for the preparation of 2,3,4,5-tetrafluorobenzoyl acetates WARNER-LAMBERT COMPANY (US) 1987-10-07 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 (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-20110053970-A1 Spirocyclic Cyclohexane Compounds Useful To Treat Substance Dependency TACR2, OPRK1, OPRD1 CES2 9/4885CES1 196/4885CA1 2404/4885
US-20230278955-A1 VITAMIN D3 DERIVATIVES AND PHARMACEUTICAL USE THEREOF VDR, CYP24A1, CYP2R1 CES2 3086/4885CES1 180/4885CA1 4863/4885

“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.