SCHEMBL251420

SCHEMBL251420

CCCCCOc1ccc(Nc2nc(-c3cccc(C(=O)O)c3)cs2)cc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.56
CSNK2A1 P68400 6/20 0.52
MAPT P10636 5/20 0.50
MAPK1 P28482 2/20 0.50
CSNK2A2 P19784 2/20 0.49
CSNK2B P67870 2/20 0.49
CSNK2A3 Q8NEV1 1/20 0.49
S1PR1 P21453 2/20 0.49
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
PTPN11 Q06124 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL207519 0.92 CSNK2A1 (0.53) CFTRCSNK2A1MAPTMAPK1CSNK2A2
SCHEMBL205632 0.91 CFTR (0.47) CFTRCSNK2A1MAPTCSNK2A2CSNK2B
SCHEMBL2697856 0.90 VCP (0.54) CFTRMAPTMAPK1S1PR1KDM4E
SCHEMBL204099 0.89 CYP1A1 (0.50) CFTRS1PR1
SCHEMBL2697512 0.88 CFTR (0.53) CFTRMAPTMAPK1S1PR1KDM4E
SCHEMBL206051 0.87 S1PR1 (0.48) CFTRCSNK2A1MAPTCSNK2A2CSNK2B
SCHEMBL204452 0.86 MEN1 (0.57) MAPTMAPK1MEN1NPC1RAB9A
SCHEMBL205519 0.86 S1PR1 (0.44) CFTRMAPTMAPK1S1PR1KDM4E
SCHEMBL206853 0.85 MEN1 (0.56) MAPTMAPK1MEN1NPC1RAB9A
SCHEMBL206765 0.85 MEN1 (0.56) MAPTMAPK1MEN1NPC1RAB9A

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 CFTR 709/4885CSNK2A1 3753/4885MAPT 4673/4885
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 CFTR 709/4885CSNK2A1 3753/4885MAPT 4673/4885
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE PIGS, CPT1A, SLC10A1 CFTR 111/4885CSNK2A1 1577/4885MAPT 2207/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 CFTR 111/4885CSNK2A1 1577/4885MAPT 2207/4885
US-20210230153-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 CFTR 709/4885CSNK2A1 3753/4885MAPT 4673/4885

“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.