SCHEMBL207559

SCHEMBL207559

N#Cc1ccc(-c2csc(Nc3ccc(OCCCC4CCCC4)c(C(F)(F)F)c3)n2)cn1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 11/20 0.41
NTSR1 P30989 1/20 0.41
VCP P55072 1/20 0.41
CTSS P25774 7/20 0.40
CTSK P43235 4/20 0.40
MCHR1 Q99705 1/20 0.39

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
SCHEMBL205364 0.89 MCHR1 (0.39) NTSR1VCPMCHR1
SCHEMBL205730 0.88 MCHR1 (0.40) VCPMCHR1
SCHEMBL209147 0.87 NTSR1 (0.43) CHEK1NTSR1VCPCTSSCTSK
SCHEMBL205538 0.87 VCP (0.43) CHEK1NTSR1VCPCTSSCTSK
SCHEMBL206349 0.86 S1PR1 (0.43) CHEK1NTSR1VCPCTSSCTSK
SCHEMBL207006 0.86 ALOX5 (0.45) VCPMCHR1
SCHEMBL208662 0.85 MEN1 (0.49) VCP
SCHEMBL205565 0.85 MCHR1 (0.42) MCHR1
SCHEMBL205926 0.81 PTGES (0.42) VCPMCHR1
SCHEMBL205865 0.81 CTSS (0.40) CHEK1CTSSCTSK

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 9 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-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 CHEK1 3562/4885NTSR1 2099/4885VCP 1270/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 CHEK1 3562/4885NTSR1 2099/4885VCP 1270/4885

“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.