SCHEMBL6005310

SCHEMBL6005310

O=C(O)[C@@H](Cc1ccc(Cl)c(Cl)c1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.51
PTPN1 P18031 1/20 0.50
PPARA Q07869 2/20 0.49
PPARG P37231 1/20 0.49
PLA2G1B P04054 1/20 0.48
POLB P06746 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
EPHX1 P07099 1/20 0.47
PPARD Q03181 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KMO O15229 1/20 0.47
PNMT P11086 1/20 0.45
PTPRG P23470 1/20 0.44
KIF11 P52732 1/20 0.44
FDFT1 P37268 1/20 0.44
CYP2C19 P33261 1/20 0.44
PDPK1 O15530 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43

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
SCHEMBL6003758 1.00 FPR2 (0.51) FPR2PTPN1PPARAPPARGPLA2G1B
SCHEMBL6005718 1.00 FPR2 (0.51) FPR2PTPN1PPARAPPARGPLA2G1B
SCHEMBL9109006 0.89 CYP2C9 (0.49) FPR2PTPN1PPARAPPARGPOLB
SCHEMBL6004995 0.86 PNMT (0.41) FPR2PTPN1PPARAPPARGPOLB
SCHEMBL6005803 0.86 PPARA (0.50) PTPN1PPARAPPARGPPARDPNMT
SCHEMBL6006575 0.86 KMT2A (0.49) FPR2PTPN1PPARAPPARGKMT2A
SCHEMBL6940109 0.85 MAOB (0.57) PPARAPPARGPPARDCYP2C19
SCHEMBL9242977 0.84 PDPK1 (0.48) FPR2PPARAPPARGPLA2G1BPOLB
SCHEMBL9444895 0.84 ESR1 (0.55) FPR2PTPN1PPARAPPARGPLA2G1B
SCHEMBL9444913 0.84 SMN1; SMN2 (0.51) PTPN1PPARAPPARGPOLBCYP2C19

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 FPR2 1533/4885PTPN1 4178/4885PPARA 350/4885

“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.