SCHEMBL207098

SCHEMBL207098

N#Cc1ccc(-c2csc(Nc3ccc(OCC4CCCCC4)c(C(F)(F)F)c3)n2)o1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VCP P55072 2/20 0.42
NTSR1 P30989 1/20 0.42
CTSS P25774 3/20 0.36
CTSK P43235 1/20 0.36
SPHK2 Q9NRA0 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
CHEK1 O14757 5/20 0.34
NPY5R Q15761 1/20 0.34
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
CCR4 P51679 1/20 0.33
ULK1 O75385 1/20 0.33
ULK2 Q8IYT8 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL207334 0.82 VCP (0.43) VCPNTSR1CTSSCTSKSPHK2
SCHEMBL208052 0.80 NPY5R (0.44) VCPNTSR1SPHK2SPHK1NPY5R
SCHEMBL204453 0.80 SPHK2 (0.41) VCPNTSR1SPHK2SPHK1NPY5R
SCHEMBL204691 0.80 CFTR (0.52) VCPSPHK2SPHK1
SCHEMBL206964 0.79 MEN1 (0.50) VCP
SCHEMBL206276 0.78 MPL (0.38) VCPNTSR1SPHK2SPHK1NPY5R
SCHEMBL205840 0.78 SPHK1 (0.37) VCPNTSR1SPHK2SPHK1
SCHEMBL208301 0.78 PTGS2 (0.45) VCPSPHK2SPHK1
SCHEMBL206668 0.78 VCP (0.41) VCPNTSR1SPHK2SPHK1NPY5R
SCHEMBL206524 0.77 ALOX5 (0.48) VCPSPHK2SPHK1NPY5R

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 2099/4885CTSS 1721/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 VCP 1270/4885NTSR1 2099/4885CTSS 1721/4885

“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.