SCHEMBL207445

SCHEMBL207445

CCCCCCCCOc1ccc(Nc2nc(-c3cnc(OC)nc3)c(F)s2)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.43
S1PR4 O95977 2/20 0.40
S1PR5 Q9H228 2/20 0.40
DHODH Q02127 3/20 0.39
CHRNA7 P36544 1/20 0.37
EGFR P00533 1/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
SPHK2 Q9NRA0 2/20 0.36
ULK1 O75385 1/20 0.35
ULK2 Q8IYT8 1/20 0.35
ABCB1 P08183 2/20 0.35
ABCG2 Q9UNQ0 2/20 0.35
ABCC1 P33527 1/20 0.35
SCD O00767 1/20 0.34
BRAF P15056 1/20 0.33
ROCK2 O75116 1/20 0.33

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
SCHEMBL3130294 0.93 DHODH (0.37) S1PR1S1PR4S1PR5DHODHCHRNA7
SCHEMBL3132641 0.92 DHODH (0.38) S1PR1S1PR4S1PR5DHODHCHRNA7
SCHEMBL3131366 0.89 S1PR1 (0.44) S1PR1S1PR4S1PR5DHODHCHRNA7
SCHEMBL3132639 0.88 S1PR1 (0.41) S1PR1DHODHCHRNA7ULK1ULK2
SCHEMBL3121711 0.88 S1PR1 (0.41) S1PR1S1PR4S1PR5DHODHCHRNA7
SCHEMBL3124573 0.86 CHRNA7 (0.52) S1PR1S1PR4S1PR5DHODHCHRNA7
SCHEMBL205677 0.85 S1PR1 (0.43) S1PR1S1PR4S1PR5DHODHCHRNA7
SCHEMBL208285 0.84 DHODH (0.42) S1PR1S1PR4S1PR5DHODHCHRNA7
SCHEMBL205759 0.83 ALOX5 (0.44) S1PR1S1PR4S1PR5ULK1ULK2
SCHEMBL3128763 0.82 S1PR1 (0.41) S1PR1S1PR4S1PR5DHODHCHRNA7

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 10 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-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.