SCHEMBL7647822

SCHEMBL7647822

FC(F)(F)c1cccc(C(S)Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.51
IDO1 P14902 1/20 0.49
TDO2 P48775 1/20 0.49
ACP3 P15309 2/20 0.47
CES2 O00748 2/20 0.47
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.45
DAO P14920 1/20 0.42
MGLL Q99685 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
ALDH1A1 P00352 1/20 0.39
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
OPRL1 P41146 2/20 0.39
TAAR1 Q96RJ0 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
SCHEMBL4139253 0.83 PNMT (0.55) PNMTIDO1TDO2ACP3CES2
SCHEMBL4601149 0.83 PNMT (0.55) PNMTIDO1TDO2ACP3CES2
SCHEMBL27946000 0.82 PNMT (0.53) PNMTIDO1TDO2ACP3CES2
SCHEMBL8463699 0.80 PNMT (0.51) PNMTIDO1TDO2ACP3CES2
SCHEMBL22497538 0.80 PNMT (0.51) PNMTIDO1TDO2ACP3CES2
SCHEMBL6705910 0.80 PNMT (0.51) PNMTIDO1TDO2ACP3CES2
SCHEMBL22193351 0.80 PNMT (0.61) PNMTIDO1TDO2ACP3CES2
SCHEMBL12971482 0.80 PNMT (0.51) PNMTIDO1TDO2ACP3CES2
SCHEMBL4069772 0.80 PNMT (0.51) PNMTIDO1TDO2ACP3CES2
SCHEMBL8460577 0.80 PNMT (0.51) PNMTIDO1TDO2ACP3CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2002-03-21 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-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them CYP11B2, AZI2, CYP2C19 PNMT 1287/4885IDO1 911/4885TDO2 1625/4885

“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.