SCHEMBL206586

SCHEMBL206586

CCCCCOc1ccc(Nc2ncc(C(=O)Nc3cccnc3)s2)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.48
SGMS2 Q8NHU3 3/20 0.47
LCK P06239 1/20 0.47
NOTUM Q6P988 1/20 0.45
LMNA P02545 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
MAPK1 P28482 2/20 0.42
TSHR P16473 1/20 0.42
LRRK2 Q5S007 1/20 0.42
TRPV1 Q8NER1 3/20 0.42

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
SCHEMBL206063 0.87 S1PR1 (0.50) S1PR1
SCHEMBL204820 0.86 SGMS2 (0.47) S1PR1SGMS2NOTUMLMNAHTR2A
SCHEMBL2697750 0.86 S1PR1 (0.52) S1PR1NPC1RAB9A
SCHEMBL206326 0.85 S1PR1 (0.48) S1PR1
SCHEMBL208472 0.85 S1PR1 (0.52) S1PR1NPC1RAB9A
SCHEMBL207599 0.84 S1PR1 (0.56) S1PR1NPC1RAB9A
SCHEMBL10190267 0.82 KDR (0.46) S1PR1
SCHEMBL3131550 0.81 S1PR1 (0.47) S1PR1
SCHEMBL3122913 0.79 S1PR1 (0.43) S1PR1SGMS2NPC1RAB9AHTR2A
SCHEMBL204452 0.78 MEN1 (0.57) LMNANPC1RAB9AMAPK1

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 8 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 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 (2 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-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE PIGS, CPT1A, SLC10A1 S1PR1 1259/4885SGMS2 4408/4885LCK 4280/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 S1PR1 1259/4885SGMS2 4408/4885LCK 4280/4885

“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.