SCHEMBL206100

SCHEMBL206100

CCCCCCCCOc1ccc(Nc2nc(-c3ccc(C(F)(F)F)cn3)cs2)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.45
S1PR1 P21453 5/20 0.44
PLAU P00749 1/20 0.42
ALOX5 P09917 4/20 0.39
PKM P14618 2/20 0.38
PTGES O14684 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
VCP P55072 3/20 0.37
NTSR1 P30989 1/20 0.37
S1PR4 O95977 2/20 0.37
S1PR5 Q9H228 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
CFTR P13569 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL206927 0.87 S1PR1 (0.47) NPY5RS1PR1ALOX5THRATHRB
SCHEMBL207312 0.87 S1PR1 (0.49) NPY5RS1PR1ALOX5THRATHRB
SCHEMBL207944 0.86 NPY5R (0.56) NPY5RS1PR1VCPKDM4EMAPT
SCHEMBL208574 0.86 S1PR1 (0.45) NPY5RS1PR1ALOX5THRATHRB
SCHEMBL206871 0.86 S1PR1 (0.45) NPY5RS1PR1ALOX5THRATHRB
SCHEMBL206051 0.86 S1PR1 (0.48) S1PR1THRATHRBMAPTCFTR
SCHEMBL250321 0.86 S1PR1 (0.48) NPY5RS1PR1ALOX5THRATHRB
SCHEMBL208365 0.85 S1PR1 (0.44) NPY5RS1PR1ALOX5PTGESTHRA
SCHEMBL207551 0.85 S1PR1 (0.45) S1PR1THRATHRBKDM4EMAPT
SCHEMBL206526 0.85 NPY5R (0.57) NPY5RS1PR1VCPKDM4EMAPT

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 3686/4885S1PR1 1259/4885PLAU 4169/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 NPY5R 3686/4885S1PR1 1259/4885PLAU 4169/4885

“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.