SCHEMBL206797

SCHEMBL206797

CCCCCCCCOc1ccc(Nc2nc(-c3ncccn3)cs2)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.46
NPY5R Q15761 1/20 0.43
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
VCP P55072 2/20 0.40
NTSR1 P30989 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MPL P40238 1/20 0.38
ALOX5 P09917 1/20 0.38
PKM P14618 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL207944 0.91 NPY5R (0.56) S1PR1NPY5RVCPCSNK2A2CSNK2B
SCHEMBL206526 0.90 NPY5R (0.57) S1PR1NPY5RVCPCSNK2A2CSNK2B
SCHEMBL206207 0.87 S1PR1 (0.45) S1PR1NPY5RTHRATHRBVCP
SCHEMBL205899 0.87 NPY5R (0.48) S1PR1NPY5RVCPCSNK2A2CSNK2B
SCHEMBL206927 0.87 S1PR1 (0.47) S1PR1NPY5RTHRATHRBVCP
SCHEMBL207312 0.87 S1PR1 (0.49) S1PR1NPY5RTHRATHRBVCP
SCHEMBL204744 0.87 MAPT (0.48) S1PR1NPY5RVCPMEN1KMT2A
SCHEMBL205906 0.87 VCP (0.44) S1PR1NPY5RVCPNTSR1MEN1
SCHEMBL206871 0.87 S1PR1 (0.45) S1PR1NPY5RTHRATHRBVCP
SCHEMBL208574 0.87 S1PR1 (0.45) S1PR1NPY5RTHRATHRBVCP

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 9 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-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 1259/4885NPY5R 3686/4885THRA 928/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 S1PR1 1259/4885NPY5R 3686/4885THRA 928/4885

“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.