SCHEMBL6005083

SCHEMBL6005083

O=C(O)[C@H](Cc1ccc(Cl)c(Cl)c1)c1ccsc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
PNMT P11086 1/20 0.40
PTPRC P08575 2/20 0.39
PTPN1 P18031 2/20 0.39
MAPT P10636 1/20 0.39
PTPRG P23470 1/20 0.39
FPR2 P25090 1/20 0.38
DPP4 P27487 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
MME P08473 1/20 0.37
KMO O15229 1/20 0.36
ABCB11 O95342 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL6005468 1.00 PPARG (0.43) PPARGPPARACYP3A4CYP2D6SLC6A2
SCHEMBL6003758 0.81 FPR2 (0.51) PPARGPPARAPNMTPTPN1PTPRG
SCHEMBL6005310 0.81 FPR2 (0.51) PPARGPPARAPNMTPTPN1PTPRG
SCHEMBL6005718 0.81 FPR2 (0.51) PPARGPPARAPNMTPTPN1PTPRG
SCHEMBL9108782 0.81 PPARG (0.48) PPARGPPARAMME
SCHEMBL9109006 0.80 CYP2C9 (0.49) PPARGPPARACYP2D6SLC6A2PNMT
SCHEMBL9106668 0.78 PPARG (0.54) PPARGPPARATSHR
SCHEMBL6004995 0.77 PNMT (0.41) PPARGPPARACYP3A4CYP2D6SLC6A2
SCHEMBL6005803 0.77 PPARA (0.50) PPARGPPARACYP2D6PNMTPTPN1
SCHEMBL6006575 0.77 KMT2A (0.49) PPARGPPARAPNMTPTPRCPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7105509-B2 Benzodiazepine derivatives as APP modulators MERCK SHARP & DOHME LIMITED (GB) 2006-09-12 US disclosed
US-20040082572-A1 Benzodiazepine derivatives as app modulators MERCK SHARPE & DOHME LIMITED (GB) 2004-04-29 US disclosed
EP-1294702-A1 BENZODIAZEPINE DERIVATIVES AS APP MODULATORS MERCK SHARP & DOHME LTD. (GB) 2003-03-26 EP disclosed
WO-2001090084-A1 BENZODIAZEPINE DERIVATIVES AS APP MODULATORS MERCK SHARP & DOHME LIMITED (GB) 2001-11-29 WO 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-20040082572-A1 Benzodiazepine derivatives as app modulators BACE1, PSEN1, APP PPARG 255/4885PPARA 350/4885CYP3A4 212/4885

“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.