SCHEMBL5604116

SCHEMBL5604116

N#Cc1cccc(CN2CSCC2C2CO2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
HSD11B1 P28845 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.37
DPP4 P27487 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
CCR2 P41597 1/20 0.35
FAAH O00519 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
CASR P41180 1/20 0.35
BRD4 O60885 2/20 0.35
FEN1 P39748 1/20 0.35
ROCK2 O75116 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
SCHEMBL14525478 1.00 CYP19A1 (0.42) CYP19A1CYP11B1CYP11B2HSD11B1SIRT2
SCHEMBL14525475 0.76 DPP4 (0.47) CYP19A1CYP11B1CYP11B2HSD11B1SIRT2
SCHEMBL5604691 0.76 DPP4 (0.47) CYP19A1CYP11B1CYP11B2HSD11B1SIRT2
SCHEMBL5604306 0.73 HSD11B1 (0.44) CYP19A1CYP11B1CYP11B2HSD11B1SIRT2
SCHEMBL14525476 0.73 HSD11B1 (0.44) CYP19A1CYP11B1CYP11B2HSD11B1SIRT2
SCHEMBL14525480 0.71 HSD11B1 (0.43) HSD11B1SIRT2SIRT1L3MBTL1DPP4
SCHEMBL5603303 0.71 HSD11B1 (0.43) HSD11B1SIRT2SIRT1L3MBTL1DPP4
SCHEMBL28024099 0.66 FAAH (0.63) CYP19A1CYP11B1CYP11B2L3MBTL1FAAH
SCHEMBL20804353 0.66 FAAH (0.63) CYP19A1CYP11B1CYP11B2L3MBTL1FAAH
SCHEMBL27993462 0.64 HSD11B1 (0.42) CYP19A1CYP11B1CYP11B2HSD11B1SIRT2

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 CYP19A1 1400/4885CYP11B1 1445/4885CYP11B2 1873/4885

“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.