SCHEMBL206113

SCHEMBL206113

CCCCCCCCOc1ccc(Nc2nc(-c3cccnc3C#N)cs2)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
VCP P55072 2/20 0.45
NTSR1 P30989 1/20 0.45
S1PR1 P21453 3/20 0.41
CTSS P25774 9/20 0.41
CTSK P43235 8/20 0.41
NPY5R Q15761 1/20 0.38
MPL P40238 3/20 0.37
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP1B1 Q16678 1/20 0.36
PTGS2 P35354 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
SCHEMBL205906 0.87 VCP (0.44) VCPNTSR1S1PR1NPY5RMPL
SCHEMBL207544 0.87 VCP (0.45) VCPNTSR1S1PR1CTSSCTSK
SCHEMBL206500 0.87 S1PR1 (0.42) VCPNTSR1S1PR1NPY5RMPL
SCHEMBL206797 0.85 S1PR1 (0.46) VCPNTSR1S1PR1NPY5RMPL
SCHEMBL206794 0.85 VCP (0.47) VCPNTSR1S1PR1CTSSCTSK
SCHEMBL206130 0.85 S1PR1 (0.48) VCPNTSR1S1PR1MPL
SCHEMBL207944 0.84 NPY5R (0.56) VCPS1PR1NPY5RCYP1A1CYP1A2
SCHEMBL250067 0.83 VCP (0.54) VCPNTSR1S1PR1CYP1A1CYP1A2
SCHEMBL250309 0.83 VCP (0.52) VCPNTSR1S1PR1MPLPTGS2
SCHEMBL207241 0.83 PTGS2 (0.48) VCPNTSR1S1PR1MPLCYP1A1

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 VCP 1270/4885NTSR1 2099/4885S1PR1 1259/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 VCP 1270/4885NTSR1 2099/4885S1PR1 1259/4885

“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.