SCHEMBL23539713

SCHEMBL23539713

Nc1cc(-c2csc(N(C(=O)O)c3cccc(C(F)(F)F)c3)n2)c(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MPL P40238 3/20 0.43
DHODH Q02127 2/20 0.39
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ADAM17 P78536 1/20 0.36
CFTR P13569 1/20 0.35
MAPK14 Q16539 1/20 0.35
UCHL1 P09936 1/20 0.35
LTA4H P09960 1/20 0.34
RORB Q92753 2/20 0.34

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
SCHEMBL23540129 0.88 MPL (0.48) MPLDHODHKDM4EALDH1A1MEN1
SCHEMBL23553871 0.87 MPL (0.39) MPLDHODHKDM4EALDH1A1MEN1
SCHEMBL30299332 0.87 MPL (0.39) MPLDHODHKDM4EALDH1A1MEN1
SCHEMBL23539609 0.85 EIF4E (0.43) MPLDHODHKDM4EALDH1A1MEN1
SCHEMBL23672543 0.81 MPL (0.40) MPLMEN1KMT2AADAM17
SCHEMBL23672545 0.81 MEN1 (0.48) KDM4EALDH1A1MEN1KMT2AADAM17
SCHEMBL23672541 0.79 GRM1 (0.47) KDM4EALDH1A1MEN1KMT2ACFTR
SCHEMBL23539646 0.77 KDM4E (0.48) DHODHKDM4EALDH1A1MEN1KMT2A
SCHEMBL23554163 0.76 MPL (0.43) MPLDHODHKDM4EALDH1A1MEN1
SCHEMBL30299343 0.76 MPL (0.43) MPLDHODHKDM4EALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-11608329-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2023-03-21 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-11608329-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 MPL 448/4885DHODH 856/4885KDM4E 2120/4885
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 MPL 448/4885DHODH 856/4885KDM4E 2120/4885
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 MPL 448/4885DHODH 856/4885KDM4E 2120/4885
US-20210230153-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 MPL 448/4885DHODH 856/4885KDM4E 2120/4885

“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.