SCHEMBL205764

SCHEMBL205764

CCCCCCCCOc1ccc(Nc2nc(-c3ccc(F)cc3)c(N)s2)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.47
S1PR4 O95977 2/20 0.42
S1PR5 Q9H228 2/20 0.42
SPHK2 Q9NRA0 3/20 0.41
CHRNA7 P36544 1/20 0.40
DHODH Q02127 2/20 0.40
ABCB1 P08183 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
P2RX3 P56373 1/20 0.36
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 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
SCHEMBL206471 0.89 S1PR1 (0.44) S1PR1S1PR4S1PR5CHRNA7DHODH
SCHEMBL206632 0.86 S1PR1 (0.44) S1PR1S1PR4S1PR5SPHK2CHRNA7
SCHEMBL3124573 0.83 CHRNA7 (0.52) S1PR1S1PR4S1PR5SPHK2CHRNA7
SCHEMBL206430 0.81 ALOX5 (0.47) S1PR1
SCHEMBL206614 0.81 S1PR1 (0.48) S1PR1S1PR4S1PR5SPHK2THRA
SCHEMBL3131366 0.81 S1PR1 (0.44) S1PR1S1PR4S1PR5SPHK2CHRNA7
SCHEMBL206916 0.80 ALOX5 (0.48) S1PR1
SCHEMBL207445 0.79 S1PR1 (0.43) S1PR1S1PR4S1PR5SPHK2CHRNA7
SCHEMBL206784 0.78 DHODH (0.51) S1PR1DHODHPTGDR2
SCHEMBL205677 0.78 S1PR1 (0.43) S1PR1S1PR4S1PR5SPHK2CHRNA7

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 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-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.