SCHEMBL5604691

SCHEMBL5604691

N#Cc1cccc(CN2CSCC2C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.47
DPP7 Q9UHL4 2/20 0.47
HSD11B1 P28845 1/20 0.46
FAAH O00519 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
CCR2 P41597 1/20 0.42
FEN1 P39748 1/20 0.41
FOLH1 Q04609 1/20 0.41
CCR3 P51677 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
FAP Q12884 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
KDM2B Q8NHM5 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
ADRA1D P25100 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
SCHEMBL14525475 1.00 DPP4 (0.47) DPP4DPP7HSD11B1FAAHSIRT2
SCHEMBL14525476 0.87 HSD11B1 (0.44) DPP4DPP7HSD11B1FAAHSIRT2
SCHEMBL5604306 0.87 HSD11B1 (0.44) DPP4DPP7HSD11B1FAAHSIRT2
SCHEMBL5603303 0.85 HSD11B1 (0.43) DPP4DPP7HSD11B1FAAHSIRT2
SCHEMBL14525480 0.85 HSD11B1 (0.43) DPP4DPP7HSD11B1FAAHSIRT2
SCHEMBL2035197 0.79 HSD11B1 (0.66) DPP4DPP7HSD11B1FAAHCCR3
SCHEMBL1818448 0.79 HSD11B1 (0.66) DPP4DPP7HSD11B1FAAHCCR3
SCHEMBL6989709 0.76 NOTUM (0.50) DPP4DPP7NOTUM
SCHEMBL14525478 0.76 CYP19A1 (0.42) DPP4DPP7HSD11B1FAAHSIRT2
SCHEMBL5604116 0.76 CYP19A1 (0.42) DPP4DPP7HSD11B1FAAHSIRT2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205322-B2 Thiazolidine compounds as calcium sensing receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
US-20040242602-A1 Novel thiazolidine compounds as calcium sensing receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2004-12-02 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 (1 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-20040242602-A1 Novel thiazolidine compounds as calcium sensing receptor modulators CASR, RYR1, CACNA1E DPP4 2148/4885DPP7 2242/4885HSD11B1 1940/4885

“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.