SCHEMBL206498

SCHEMBL206498

CCCCCCCCOc1ccc(Nc2nc(-c3cccnc3)c(C#N)s2)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.41
DHODH Q02127 2/20 0.38
S1PR4 O95977 2/20 0.37
S1PR5 Q9H228 2/20 0.37
CHRNA7 P36544 1/20 0.37
CTSS P25774 6/20 0.37
CTSK P43235 4/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
P2RY1 P47900 1/20 0.36
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35

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
SCHEMBL205677 0.88 S1PR1 (0.43) S1PR1DHODHS1PR4S1PR5CHRNA7
SCHEMBL205994 0.88 S1PR1 (0.43) S1PR1DHODHS1PR4S1PR5CHRNA7
SCHEMBL206228 0.88 DHODH (0.43) S1PR1DHODHS1PR4S1PR5CHRNA7
SCHEMBL206632 0.88 S1PR1 (0.44) S1PR1DHODHS1PR4S1PR5CHRNA7
SCHEMBL208285 0.88 DHODH (0.42) S1PR1DHODHS1PR4S1PR5CHRNA7
SCHEMBL205721 0.85 S1PR1 (0.42) S1PR1DHODHS1PR4S1PR5CHRNA7
SCHEMBL4207949 0.85 CHRNA7 (0.42) S1PR1DHODHS1PR4S1PR5CHRNA7
SCHEMBL207547 0.85 DHODH (0.52) S1PR1DHODH
SCHEMBL3131550 0.83 S1PR1 (0.47) S1PR1S1PR4S1PR5
SCHEMBL10190267 0.82 KDR (0.46) S1PR1S1PR4S1PR5

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 11 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 claimed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US claimed
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 S1PR1 1259/4885DHODH 1219/4885S1PR4 2663/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 S1PR1 1259/4885DHODH 1219/4885S1PR4 2663/4885

“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.