SCHEMBL205398

SCHEMBL205398

CCCCCCCCOc1ccc(Nc2nc(-c3ccc(Cl)s3)cs2)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.44
ALDH1A1 P00352 6/20 0.42
NPC1 O15118 2/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
ALOX5 P09917 4/20 0.40
S1PR4 O95977 2/20 0.39
S1PR5 Q9H228 2/20 0.39
MEN1 O00255 5/20 0.39
MAPT P10636 5/20 0.39
KMT2A Q03164 5/20 0.39
ALOX12 P18054 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
VCP P55072 3/20 0.37
NTSR1 P30989 1/20 0.37
KDM4E B2RXH2 3/20 0.37
PTGES O14684 1/20 0.37
HPGD P15428 1/20 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
SCHEMBL2696254 0.99 ALDH1A1 (0.43) S1PR1ALDH1A1NPC1GAARAB9A
SCHEMBL205899 0.87 NPY5R (0.48) S1PR1NPC1RAB9AS1PR4S1PR5
SCHEMBL205519 0.86 S1PR1 (0.44) S1PR1ALDH1A1NPC1GAARAB9A
SCHEMBL208515 0.86 ALOX5 (0.58) ALOX5MEN1MAPTKMT2AVCP
SCHEMBL206536 0.86 NPY5R (0.48) S1PR1NPC1RAB9AS1PR4S1PR5
SCHEMBL207991 0.85 ALOX5 (0.45) S1PR1NPC1RAB9AALOX5S1PR4
SCHEMBL205460 0.85 MEN1 (0.50) S1PR1ALDH1A1NPC1GAARAB9A
SCHEMBL2700258 0.85 ALOX5 (0.59) ALOX5MEN1MAPTKMT2AVCP
SCHEMBL206927 0.85 S1PR1 (0.47) S1PR1ALDH1A1GAARAB9AALOX5
SCHEMBL207312 0.85 S1PR1 (0.49) S1PR1ALDH1A1NPC1GAARAB9A

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 1259/4885ALDH1A1 109/4885NPC1 62/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 S1PR1 1259/4885ALDH1A1 109/4885NPC1 62/4885

“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.