SCHEMBL208052

SCHEMBL208052

FC(F)(F)c1ccc(-c2csc(Nc3ccc(OCC4CCCCC4)c(C(F)(F)F)c3)n2)nc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.44
VCP P55072 3/20 0.38
ALOX5 P09917 2/20 0.38
NTSR1 P30989 1/20 0.38
PLAU P00749 1/20 0.38
PKM P14618 2/20 0.37
SCN8A Q9UQD0 2/20 0.36
SCN10A Q9Y5Y9 2/20 0.36
SPHK2 Q9NRA0 4/20 0.36
SPHK1 Q9NYA1 4/20 0.36
ULK1 O75385 1/20 0.35
ULK2 Q8IYT8 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
CFTR P13569 2/20 0.34
NPSR1 Q6W5P4 1/20 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
SCHEMBL204691 0.85 CFTR (0.52) VCPALOX5SPHK2SPHK1KDM4E
SCHEMBL204453 0.83 SPHK2 (0.41) NPY5RVCPNTSR1SPHK2SPHK1
SCHEMBL206964 0.83 MEN1 (0.50) VCPPKMMAPTMAPK1
SCHEMBL206276 0.82 MPL (0.38) NPY5RVCPALOX5NTSR1SPHK2
SCHEMBL2706190 0.82 VCP (0.35) NPY5RVCPALOX5NTSR1SPHK2
SCHEMBL206100 0.80 NPY5R (0.45) NPY5RVCPALOX5NTSR1PLAU
SCHEMBL207098 0.80 VCP (0.42) NPY5RVCPNTSR1SPHK2SPHK1
SCHEMBL206616 0.80 VCP (0.39) VCPALOX5NTSR1PLAUSPHK2
SCHEMBL208301 0.80 PTGS2 (0.45) VCPALOX5PKMSPHK2SPHK1
SCHEMBL206668 0.80 VCP (0.41) NPY5RVCPNTSR1SPHK2SPHK1

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 11 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-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 NPY5R 3686/4885VCP 1270/4885ALOX5 3410/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 NPY5R 3686/4885VCP 1270/4885ALOX5 3410/4885

“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.