SCHEMBL206276

SCHEMBL206276

COc1cccc(-c2csc(Nc3ccc(OCC4CCCCC4)c(C(F)(F)F)c3)n2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 1/20 0.38
NPY5R Q15761 1/20 0.38
ULK1 O75385 1/20 0.38
ULK2 Q8IYT8 1/20 0.38
ALOX5 P09917 1/20 0.38
CYP1A1 P04798 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP1B1 Q16678 2/20 0.37
MCHR1 Q99705 1/20 0.37
VCP P55072 2/20 0.37
NTSR1 P30989 1/20 0.37
EPHA2 P29317 1/20 0.37
KDR P35968 1/20 0.37
EPHB4 P54760 1/20 0.37
SPHK2 Q9NRA0 1/20 0.36
SPHK1 Q9NYA1 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
PTGS2 P35354 2/20 0.36
PTGES O14684 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
SCHEMBL204453 0.83 SPHK2 (0.41) NPY5RMCHR1VCPNTSR1SPHK2
SCHEMBL204691 0.83 CFTR (0.52) MPLALOX5VCPSPHK2SPHK1
SCHEMBL208301 0.83 PTGS2 (0.45) ALOX5CYP1A1CYP1A2CYP1B1MCHR1
SCHEMBL208052 0.82 NPY5R (0.44) NPY5RULK1ULK2ALOX5VCP
SCHEMBL207650 0.82 S1PR1 (0.43) MPLNPY5RALOX5CYP1A1CYP1A2
SCHEMBL206616 0.81 VCP (0.39) ULK1ULK2ALOX5CYP1A1CYP1A2
SCHEMBL2706190 0.81 VCP (0.35) NPY5RULK1ULK2ALOX5MCHR1
SCHEMBL206668 0.81 VCP (0.41) MPLNPY5RCYP1A1CYP1A2CYP1B1
SCHEMBL206964 0.81 MEN1 (0.50) CYP1A1CYP1A2CYP1B1VCP
SCHEMBL205441 0.80 PTGS2 (0.55) ALOX5CYP1A1CYP1A2CYP1B1MCHR1

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 MPL 4094/4885NPY5R 3686/4885ULK1 4174/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 MPL 4094/4885NPY5R 3686/4885ULK1 4174/4885

“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.