SCHEMBL208550

SCHEMBL208550

CCCCCOc1ccc(Nc2nc(CN3CCN(C)CC3)cs2)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.43
S1PR1 P21453 3/20 0.41
CTSS P25774 3/20 0.41
CTSK P43235 3/20 0.41
EPHA2 P29317 1/20 0.41
KDR P35968 1/20 0.41
EPHB4 P54760 1/20 0.41
SRC P12931 5/20 0.38
ABL1 P00519 3/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
PLK1 P53350 1/20 0.37
MCHR1 Q99705 1/20 0.36
SPHK2 Q9NRA0 2/20 0.36
CDK1 P06493 1/20 0.36
CDK2 P24941 1/20 0.36
CDK8 P49336 1/20 0.36

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
SCHEMBL204378 0.92 S1PR1 (0.42) NTRK1S1PR1CTSSCTSKEPHA2
SCHEMBL204766 0.90 RAB9A (0.44) S1PR1EPHA2KDREPHB4NPC1
SCHEMBL251396 0.90 S1PR1 (0.40) NTRK1S1PR1CTSSMCHR1SPHK2
SCHEMBL207106 0.89 S1PR1 (0.42) S1PR1RAB9ASPHK2
SCHEMBL205324 0.88 S1PR1 (0.41) S1PR1CTSSSPHK2
SCHEMBL205648 0.87 S1PR1 (0.46) S1PR1CTSSNPC1RAB9ASPHK2
SCHEMBL205301 0.86 S1PR1 (0.44) S1PR1SPHK2
SCHEMBL205226 0.86 S1PR1 (0.45) S1PR1NPC1RAB9ASPHK2
SCHEMBL205942 0.86 CDK4 (0.41) S1PR1SPHK2
SCHEMBL2696943 0.86 S1PR1 (0.39) S1PR1EPHA2EPHB4ABL1SPHK2

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 9 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-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 NTRK1 4827/4885S1PR1 1259/4885CTSS 1721/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 NTRK1 4827/4885S1PR1 1259/4885CTSS 1721/4885

“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.