SCHEMBL4640382

SCHEMBL4640382

CNC(=O)c1cc(F)cc(-c2cc3c(c(C(=O)O)c2)OCCO3)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.50
BAZ2B Q9UIF8 1/20 0.39
BACE1 P56817 1/20 0.39
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38
MAP4K4 O95819 1/20 0.37
NPC1 O15118 3/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 2/20 0.36
TP53 P04637 2/20 0.36
RAB9A P51151 2/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CASP1 P29466 1/20 0.35
BRD4 O60885 3/20 0.35
MAOB P27338 1/20 0.34

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
SCHEMBL14099138 0.90 PLK1 (0.50) PLK1BAZ2BBACE1LMNAHTT
SCHEMBL4735849 0.86 KDM4E (0.40) PLK1LMNAHTTCTNNB1WNT3A
SCHEMBL4737360 0.85 PLK1 (0.52) PLK1BAZ2BHTTNPC1ALDH1A1
SCHEMBL4737639 0.84 PARP1 (0.48) PLK1BAZ2BBACE1MAP4K4NPSR1
SCHEMBL4786603 0.84 PLK1 (0.49) PLK1BAZ2BNPC1CASP1BRD4
SCHEMBL4641356 0.81 PARP1 (0.40) PLK1BACE1MAP4K4NPC1ALDH1A1
SCHEMBL4738525 0.81 HCAR1 (0.39) PLK1LMNAHTTCTNNB1WNT3A
SCHEMBL4737775 0.77 CTNNB1 (0.49) CTNNB1WNT3ANPC1ALDH1A1SMN1; SMN2
SCHEMBL13315481 0.77 PARP1 (0.46) PLK1HTTCTNNB1WNT3ANPC1
SCHEMBL4640340 0.76 PLK1 (0.43) PLK1BAZ2BLMNANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US claimed
EP-1956016-A1 Bicyclic acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-13 EP claimed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO claimed
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US disclosed
EP-1956016-A1 Bicyclic acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-13 EP disclosed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 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-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 PLK1 1294/4885BAZ2B 3729/4885BACE1 1303/4885

“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.