SCHEMBL4212480

SCHEMBL4212480

CCCCCCCCc1ccc(Nc2nc(-c3ccc(OP(=O)(OC)OC)nc3)cs2)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.39
ALOX5 P09917 5/20 0.36
PTGES O14684 1/20 0.36
MAPT P10636 5/20 0.36
KDM4E B2RXH2 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 4/20 0.35
RAB9A P51151 4/20 0.35
KMT2A Q03164 4/20 0.35
NPC1 O15118 3/20 0.35
PTGS2 P35354 3/20 0.35
MPL P40238 3/20 0.35
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
VCP P55072 1/20 0.35
POLB P06746 1/20 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
SCHEMBL3121654 0.84 S1PR1 (0.44) S1PR1ALOX5PTGESMAPTKDM4E
SCHEMBL3131973 0.83 S1PR1 (0.45) S1PR1ALOX5PTGESMAPTKDM4E
SCHEMBL2755709 0.83 S1PR1 (0.41) S1PR1ALOX5MAPTMEN1RAB9A
SCHEMBL207601 0.83 S1PR1 (0.41) S1PR1ALOX5MAPTMEN1RAB9A
SCHEMBL4214643 0.81 S1PR1 (0.41) S1PR1ALOX5PTGESMAPTKDM4E
SCHEMBL4214646 0.81 S1PR1 (0.41) S1PR1ALOX5PTGESMAPTKDM4E
SCHEMBL208681 0.80 ALOX5 (0.46) S1PR1ALOX5PTGESMAPTMAPK1
SCHEMBL3128737 0.79 MEN1 (0.56) MAPTMAPK1MEN1RAB9AKMT2A
SCHEMBL206134 0.79 MEN1 (0.56) MAPTMAPK1MEN1RAB9AKMT2A
SCHEMBL206496 0.79 ALOX5 (0.46) S1PR1ALOX5PTGESMAPTMAPK1

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 3564/4885ALOX5 3440/4885PTGES 2996/4885

“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.