SCHEMBL716995

SCHEMBL716995

CC(=O)c1c(F)cccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
KIF11 P52732 1/20 0.44
KMT2A Q03164 2/20 0.42
THRB P10828 1/20 0.42
RORC P51449 3/20 0.41
NOTUM Q6P988 2/20 0.41
RORB Q92753 1/20 0.40
STIM1 Q13586 1/20 0.40
ORAI1 Q96D31 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTGS2 P35354 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MEN1 O00255 1/20 0.39
TRPA1 O75762 2/20 0.38

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
SCHEMBL30313345 1.00 CES2 (0.48) CES2CES1KIF11KMT2ATHRB
SCHEMBL1995318 0.88 THRB (0.48) KIF11KMT2ATHRBNOTUMMAOA
SCHEMBL22380043 0.85 CES2 (0.48) CES2CES1KMT2ATHRBTDP1
SCHEMBL503596 0.82 CES2 (0.50) CES2CES1RORCRORBSTIM1
SCHEMBL167447 0.81 CES2 (0.64) CES2CES1KMT2ATHRBTDP1
SCHEMBL23364641 0.81 THRB (0.42) KMT2ATHRBRORCNOTUMTDP1
SCHEMBL13519060 0.81 THRB (0.63) KMT2ATHRBNOTUMTDP1MAOA
SCHEMBL21518072 0.81 CES2 (0.48) CES2CES1RORCRORBSTIM1
SCHEMBL29932939 0.81 THRB (0.42) KMT2ATHRBRORCNOTUMTDP1
SCHEMBL476764 0.81 CES2 (0.48) CES2CES1KMT2ARORCRORB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3793988-B1 SUBSTITUTED CONDENSED THIOPHENES AS MODULATORS OF STING CTXT PTY LTD (AU) 2023-11-15 EP disclosed
EP-3999185-B1 BENZOTHIOPHENE, THIENOPYRIDINE AND THIENOPYRIMIDINE DERIVATIVES FOR THE MODULATION OF STING CTXT PTY LTD (AU) 2023-08-30 EP disclosed
US-20230227423-A1 SUBSTITUTED CONDENSED THIOPHENES AS MODULATORS OF STING CTXT PTY LTD (AU) 2023-07-20 US disclosed
US-20220389032-A1 BENZOTHIOPHENE, THIENOPYRIDINE AND THIENOPYRIMIDINE DERIVATIVES FOR THE MODULATION OF STING CTXT PTY LTD. (AU) 2022-12-08 US disclosed
US-20210214333-A1 SUBSTITUTED CONDENSED THIOPHENES AS MODULATORS OF STING CTXT PTY LTD. (AU) 2021-07-15 US disclosed
WO-2021009365-A1 BENZOTHIOPHENE, THIENOPYRIDINE AND THIENOPYRIMIDINE DERIVATIVES FOR THE MODULATION OF STING CTXT PTY LIMITED (AU) 2021-01-21 WO 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
EP-2862856-B1 IMIDAZOLE AND TRIAZOLE COMPOUNDS AS DGAT-1 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2018-08-01 EP disclosed
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-23 US disclosed
EP-1215208-A2 4-Aminothiazole derivatives, their preparation and their use as inhibitors of cyclin-dependent kinases Agouron Pharmaceuticals, Inc. (US) 2002-06-19 EP disclosed
US-6358750-B1 FOR COMBINATORIAL LIBRARIES; DRUG SCREENING ARQULE, INC. 2002-03-19 US disclosed
WO-2002000632-A1 BENZODIAZEPINES AS INHIBITORS OF HPV E1 HELICASE F. HOFFMANN-LA ROCHE AG (CH) 2002-01-03 WO disclosed
EP-1125937-A2 Spiro [Pyrrolidine-2,3'-oxindole] compounds and methods of use ARQULE, INC. (US) 2001-08-22 EP disclosed
EP-1056732-A2 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMACEUTICALS, INC. (US) 2000-12-06 EP disclosed
WO-1999021845-A2 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMACEUTICALS, INC. (US) 1999-05-06 WO disclosed
US-5808105-A 4-phenoxycoumarins as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1998-09-15 US disclosed
US-5759959-A SELECTIVE CONTROL OF MONOCOTYLEDENOUS WEEDS IN THE PRESENCE OF A CROP PLANT AMERICAN CYANAMID COMPANY (US) 1998-06-02 US disclosed
US-5681968-A EFFECTIVE TO CONTROL GRASS AND OTHER MONOCOTOLYDENOUS WEEDS AMERICAN CYANAMID COMPANY (US) 1997-10-28 US disclosed
EP-0694257-A1 4-Phenoxycoumarins and thio derivatives thereof, their preparation and use as herbicides AMERICAN CYANAMID COMPANY (US) 1996-01-31 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 (5 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-20230227423-A1 SUBSTITUTED CONDENSED THIOPHENES AS MODULATORS OF STING STING1, CGAS, IRF3 CES2 2409/4885CES1 1342/4885KIF11 4854/4885
US-20210214333-A1 SUBSTITUTED CONDENSED THIOPHENES AS MODULATORS OF STING STING1, CGAS, IRF3 CES2 2414/4885CES1 1265/4885KIF11 4852/4885
US-20220389032-A1 BENZOTHIOPHENE, THIENOPYRIDINE AND THIENOPYRIMIDINE DERIVATIVES FOR THE MODULATION OF STING STING1, CGAS, MAVS CES2 3595/4885CES1 3484/4885KIF11 4834/4885
US-10308636-B2 Aromatic heterocyclic compound GPR119, NR0B1, BET1 CES2 719/4885CES1 187/4885KIF11 3064/4885
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 CES2 719/4885CES1 187/4885KIF11 3064/4885

“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.