SCHEMBL205187

SCHEMBL205187

CCCCCOc1ccc(Nc2nc(N)cs2)cc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.50
S1PR4 O95977 2/20 0.41
S1PR5 Q9H228 2/20 0.41
CSNK2A1 P68400 1/20 0.40
PLK3 Q9H4B4 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
CA12 O43570 5/20 0.40
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA9 Q16790 5/20 0.40
SPHK2 Q9NRA0 2/20 0.38
NTSR1 P30989 1/20 0.36
VCP P55072 1/20 0.36
MCHR1 Q99705 2/20 0.36
TLR8 Q9NR97 2/20 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
SCHEMBL206820 0.89 S1PR1 (0.48) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL250321 0.89 S1PR1 (0.48) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL207312 0.88 S1PR1 (0.49) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL207482 0.86 S1PR1 (0.52) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL206224 0.86 S1PR1 (0.54) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL208168 0.86 S1PR1 (0.46) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL204857 0.85 S1PR1 (0.47) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL206216 0.85 S1PR1 (0.47) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL205460 0.84 MEN1 (0.50) S1PR1VCPTLR8
SCHEMBL206927 0.84 S1PR1 (0.47) S1PR1S1PR4S1PR5THRATHRB

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 S1PR1 1259/4885S1PR4 2663/4885S1PR5 2976/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 S1PR1 1259/4885S1PR4 2663/4885S1PR5 2976/4885

“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.