SCHEMBL4733980

SCHEMBL4733980

O=C(O)c1cc(-c2csc3ccccc23)cc2c1OCC2

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 16/20 0.45
PTGER4 P35408 2/20 0.41
ERN1 O75460 2/20 0.40
HDAC2 Q92769 1/20 0.39
XDH P47989 1/20 0.39
SLC22A12 Q96S37 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
SCHEMBL4648636 0.81 PTGER2 (0.43) PTGER2PTGER4ERN1
SCHEMBL4733527 0.80 XDH (0.44) XDHSLC22A12
SCHEMBL4733757 0.80 MCL1 (0.53) XDHSLC22A12
SCHEMBL4738866 0.77 MCL1 (0.51) XDHSLC22A12
SCHEMBL4738771 0.77 ACMSD (0.51) XDHSLC22A12
SCHEMBL4734867 0.77 PARP1 (0.55) XDHSLC22A12
SCHEMBL4736169 0.75 ACLY (0.44) PTGER2ERN1HDAC2XDHSLC22A12
SCHEMBL4785932 0.75 ACMSD (0.49) XDHSLC22A12
SCHEMBL14091818 0.74 ECE1 (0.45) PTGER2PTGER4
SCHEMBL15025427 0.74 APP (0.50) ERN1HDAC2

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 PTGER2 881/4885PTGER4 1060/4885ERN1 4758/4885

“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.