SCHEMBL204874

SCHEMBL204874

CCCCCCCCOc1ccc(Nc2nc(-c3ccc(O)nc3)cs2)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.47
S1PR4 O95977 2/20 0.43
S1PR5 Q9H228 2/20 0.43
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
ALOX5 P09917 3/20 0.43
PTGES O14684 1/20 0.41
THRB P10828 2/20 0.40
THRA P10827 1/20 0.40
VCP P55072 3/20 0.40
NTSR1 P30989 1/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CFTR P13569 1/20 0.40
MAPK1 P28482 2/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 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
SCHEMBL206476 0.99 S1PR1 (0.46) S1PR1S1PR4S1PR5PRMT5WDR77
SCHEMBL2706710 0.94 S1PR1 (0.43) S1PR1S1PR4S1PR5PRMT5WDR77
SCHEMBL207192 0.91 S1PR1 (0.47) S1PR1S1PR4S1PR5PRMT5WDR77
SCHEMBL208686 0.90 S1PR1 (0.46) S1PR1S1PR4S1PR5ALOX5PTGES
SCHEMBL208681 0.90 ALOX5 (0.46) S1PR1S1PR4S1PR5PRMT5WDR77
SCHEMBL206216 0.90 S1PR1 (0.47) S1PR1S1PR4S1PR5ALOX5PTGES
SCHEMBL206889 0.89 S1PR1 (0.44) S1PR1S1PR4S1PR5PRMT5WDR77
SCHEMBL205851 0.89 S1PR1 (0.44) S1PR1S1PR4S1PR5PRMT5WDR77
SCHEMBL205425 0.89 S1PR1 (0.44) S1PR1S1PR4S1PR5PRMT5WDR77
SCHEMBL206105 0.89 S1PR1 (0.45) S1PR1S1PR4S1PR5ALOX5PTGES

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 7 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-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.