SCHEMBL204099

SCHEMBL204099

CCCCCOc1ccc(Nc2nc(-c3cccc(F)c3)cs2)cc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 9/20 0.50
CYP1A2 P05177 9/20 0.50
CYP1B1 Q16678 9/20 0.50
NAMPT P43490 1/20 0.44
CFTR P13569 4/20 0.43
S1PR1 P21453 2/20 0.42
PTGES O14684 1/20 0.42
VCP P55072 2/20 0.41
ALOX5 P09917 1/20 0.40

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
SCHEMBL2697856 0.90 VCP (0.54) CYP1A1CYP1A2CYP1B1CFTRS1PR1
SCHEMBL2697512 0.90 CFTR (0.53) CYP1A1CYP1A2CYP1B1CFTRS1PR1
SCHEMBL206916 0.90 ALOX5 (0.48) CYP1A1CYP1A2CYP1B1CFTRS1PR1
SCHEMBL206430 0.89 ALOX5 (0.47) CYP1A1CYP1A2CYP1B1CFTRS1PR1
SCHEMBL205267 0.89 CYP1A1 (0.53) CYP1A1CYP1A2CYP1B1NAMPTCFTR
SCHEMBL251420 0.89 CFTR (0.56) CFTRS1PR1
SCHEMBL206060 0.88 PTGES (0.46) CYP1A1CYP1A2CYP1B1S1PR1PTGES
SCHEMBL205851 0.87 S1PR1 (0.44) CYP1A1CYP1A2CYP1B1S1PR1PTGES
SCHEMBL204744 0.87 MAPT (0.48) CYP1A1CYP1A2CYP1B1S1PR1VCP
SCHEMBL204452 0.86 MEN1 (0.57) CYP1A1CYP1A2CYP1B1VCP

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US claimed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF ARYL THERAPEUTICS, INC. 2023-09-21 US disclosed
US-20210230153-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF ARYL THERAPEUTICS, INC. 2021-07-29 US disclosed
WO-2021127301-A1 4-PHENYL-N-(PHENYL)THIAZOL-2-AMINE DERIVATIVES AND RELATED COMPOUNDS AS ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS FOR THE TREATMENT OF E.G. ANGIOGENESIS IMPLICATED OR INFLAMMATORY DISORDERS Ikena Oncology, Inc. (US) 2021-06-24 WO disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US 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-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 CYP1A1 7/4885CYP1A2 26/4885CYP1B1 21/4885
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 CYP1A1 7/4885CYP1A2 26/4885CYP1B1 21/4885
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE PIGS, CPT1A, SLC10A1 CYP1A1 212/4885CYP1A2 603/4885CYP1B1 235/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 CYP1A1 212/4885CYP1A2 603/4885CYP1B1 235/4885
US-20210230153-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 CYP1A1 7/4885CYP1A2 26/4885CYP1B1 21/4885

“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.