SCHEMBL4210034

SCHEMBL4210034

CCCCCCCCOc1ccc(Nc2nc(-c3ccsc3C(N)=O)c(F)s2)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.48
DHODH Q02127 8/20 0.41
THRA P10827 2/20 0.41
THRB P10828 2/20 0.41
S1PR4 O95977 3/20 0.41
S1PR5 Q9H228 3/20 0.41
S1PR3 Q99500 1/20 0.36
CHRNA7 P36544 1/20 0.35
SPHK2 Q9NRA0 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
SCHEMBL207683 0.85 S1PR1 (0.49) S1PR1THRATHRBS1PR4S1PR5
SCHEMBL2697754 0.81 DHODH (0.53) S1PR1DHODHTHRATHRBS1PR4
SCHEMBL3124573 0.80 CHRNA7 (0.52) S1PR1DHODHTHRATHRBS1PR4
SCHEMBL3129516 0.79 S1PR1 (0.48) S1PR1THRATHRBS1PR4S1PR5
SCHEMBL3131366 0.78 S1PR1 (0.44) S1PR1DHODHTHRATHRBS1PR4
SCHEMBL207445 0.77 S1PR1 (0.43) S1PR1DHODHTHRATHRBS1PR4
SCHEMBL205677 0.77 S1PR1 (0.43) S1PR1DHODHTHRATHRBS1PR4
SCHEMBL206523 0.77 S1PR1 (0.53) S1PR1THRATHRBS1PR4S1PR5
SCHEMBL206224 0.77 S1PR1 (0.54) S1PR1THRATHRBS1PR4S1PR5
SCHEMBL208285 0.76 DHODH (0.42) S1PR1DHODHTHRATHRBS1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183263-B2 Heteroaryl substituted thiazoles ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-22 US disclosed
US-8183263-B2 Heteroaryl substituted thiazoles ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-22 US disclosed
US-8183263-B2 Heteroaryl substituted thiazoles ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-22 US disclosed
US-20090041720-A1 HETEROARYL SUBSTITUTED THIAZOLES ACHILLION PHARMACEUTICALS, INC. (US) 2009-02-12 US disclosed
US-20090041720-A1 HETEROARYL SUBSTITUTED THIAZOLES ACHILLION PHARMACEUTICALS, INC. (US) 2009-02-12 US disclosed
US-20090041720-A1 HETEROARYL SUBSTITUTED THIAZOLES ACHILLION PHARMACEUTICALS, INC. (US) 2009-02-12 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 (1 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-20090041720-A1 HETEROARYL SUBSTITUTED THIAZOLES CYP3A43, CYP3A7, HAVCR2 S1PR1 3564/4885DHODH 667/4885THRA 190/4885

“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.