SCHEMBL4737639

SCHEMBL4737639

CNC(=O)c1cc(F)cc(-c2cc3c(c(C(=O)O)c2)OCC3)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.48
MAP4K4 O95819 1/20 0.39
PLK1 P53350 1/20 0.38
XDH P47989 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
BACE1 P56817 1/20 0.36
BRD4 O60885 3/20 0.34
FABP4 P15090 2/20 0.33
FABP3 P05413 1/20 0.33
FABP5 Q01469 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CXCR2 P25025 1/20 0.33
PIP5K1C O60331 1/20 0.33
PIK3CA P42336 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
GYS1 P13807 1/20 0.33

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
SCHEMBL4641356 0.92 PARP1 (0.40) PARP1MAP4K4PLK1BACE1BRD4
SCHEMBL4740181 0.85 CRBN (0.41) PARP1PLK1XDHSLC22A12BRD4
SCHEMBL4640382 0.84 PLK1 (0.50) MAP4K4PLK1BACE1BRD4BAZ2B
SCHEMBL14098995 0.84 PARP1 (0.53) PARP1MAP4K4PLK1BACE1BRD4
SCHEMBL14161476 0.83 PARP1 (0.40) PARP1MAP4K4PLK1BACE1BRD4
SCHEMBL4640357 0.81 PLK1 (0.40) PARP1MAP4K4PLK1BACE1BRD4
SCHEMBL4740085 0.81 PARP1 (0.50) PARP1XDHSLC22A12BRD4FABP4
SCHEMBL4733776 0.78 PARP1 (0.52) PARP1XDHSLC22A12FABP4FABP3
SCHEMBL4737359 0.78 PARP1 (0.49) PARP1MAP4K4XDHSLC22A12FABP4
SCHEMBL29089219 0.77 PARP1 (0.76) PARP1XDHSLC22A12MAPTNPSR1

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-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US 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
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 PARP1 1061/4885MAP4K4 4675/4885PLK1 1294/4885

“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.