SCHEMBL250309

SCHEMBL250309

CCCCCOc1ccc(Nc2nc(-c3ccccc3O)cs2)cc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
VCP P55072 4/20 0.52
AMY1A P0DUB6 4/20 0.52
NTSR1 P30989 1/20 0.49
S1PR1 P21453 3/20 0.44
MPL P40238 1/20 0.41
TYR P14679 1/20 0.40
PTGS2 P35354 1/20 0.40
SPHK2 Q9NRA0 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
PIM1 P11309 1/20 0.40
HPGDS O60760 1/20 0.40

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
SCHEMBL205889 0.90 VCP (0.60) VCPAMY1ANTSR1S1PR1TYR
SCHEMBL207241 0.89 PTGS2 (0.48) VCPNTSR1S1PR1MPLPTGS2
SCHEMBL250067 0.89 VCP (0.54) VCPAMY1ANTSR1S1PR1PTGS2
SCHEMBL206207 0.87 S1PR1 (0.45) VCPAMY1ANTSR1S1PR1
SCHEMBL205906 0.86 VCP (0.44) VCPNTSR1S1PR1MPLPTGS2
SCHEMBL250488 0.85 HSPD1 (0.51) VCPNTSR1S1PR1
SCHEMBL206526 0.85 NPY5R (0.57) VCPS1PR1
SCHEMBL2697856 0.85 VCP (0.54) VCPAMY1ANTSR1S1PR1
SCHEMBL207803 0.85 HSPD1 (0.50) VCPNTSR1S1PR1
SCHEMBL207944 0.84 NPY5R (0.56) VCPS1PR1

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 1270/4885AMY1A 527/4885NTSR1 2099/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 VCP 1270/4885AMY1A 527/4885NTSR1 2099/4885

“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.