SCHEMBL205955

SCHEMBL205955

CCCCCCCCOc1ccc(Nc2nc(-c3ccc(CCO)cc3)cs2)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.48
ALOX5 P09917 5/20 0.43
SPHK2 Q9NRA0 2/20 0.41
SPHK1 Q9NYA1 2/20 0.41
PTGES O14684 1/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
VCP P55072 1/20 0.39
MCHR1 Q99705 1/20 0.39
GAA P10253 2/20 0.39
S1PR4 O95977 2/20 0.39
S1PR5 Q9H228 2/20 0.39
KDM4E B2RXH2 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
PTGS2 P35354 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL206430 0.88 ALOX5 (0.47) S1PR1ALOX5MAPTMEN1KMT2A
SCHEMBL208515 0.88 ALOX5 (0.58) ALOX5SPHK2SPHK1MAPTMEN1
SCHEMBL206916 0.87 ALOX5 (0.48) S1PR1ALOX5MAPTMEN1KMT2A
SCHEMBL252148 0.87 ALOX5 (0.43) S1PR1ALOX5PTGESMAPTMEN1
SCHEMBL206595 0.87 MAPT (0.46) S1PR1ALOX5PTGESMAPTMEN1
SCHEMBL2700258 0.87 ALOX5 (0.59) ALOX5SPHK2SPHK1MAPTMEN1
SCHEMBL204744 0.86 MAPT (0.48) S1PR1ALOX5MAPTMEN1KMT2A
SCHEMBL207803 0.86 HSPD1 (0.50) S1PR1ALOX5MAPTMEN1KMT2A
SCHEMBL205026 0.86 PTGS2 (0.56) ALOX5PTGESMAPTMEN1KMT2A
SCHEMBL207519 0.85 CSNK2A1 (0.53) S1PR1ALOX5MAPTMEN1KMT2A

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 1259/4885ALOX5 3410/4885SPHK2 4034/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 S1PR1 1259/4885ALOX5 3410/4885SPHK2 4034/4885

“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.