SCHEMBL6574053

SCHEMBL6574053

O=C(O)CNC(Cc1ccc(N=C=S)cc1)CN(CC[N+](CC(=O)O)(CC(=O)O)CC(=O)O)CC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.33
HSD17B10 Q99714 1/20 0.33
P2RY6 Q15077 1/20 0.31

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
SCHEMBL25890823 0.85 HSD17B10 (0.34) OPRD1HSD17B10P2RY6
SCHEMBL22606701 0.80 HSD17B10 (0.33) OPRD1HSD17B10
SCHEMBL1230833 0.76 HSD17B10 (0.39) OPRD1HSD17B10P2RY6
SCHEMBL1149469 0.75 P2RY6 (0.42) OPRD1HSD17B10P2RY6
SCHEMBL5968018 0.75 P2RY6 (0.40) OPRD1HSD17B10P2RY6
SCHEMBL7209073 0.75 HSD17B10 (0.36) OPRD1HSD17B10P2RY6
SCHEMBL12847616 0.71 HSD17B10 (0.38) OPRD1HSD17B10P2RY6
SCHEMBL6550277 0.71 HSD17B10 (0.39) OPRD1HSD17B10P2RY6
SCHEMBL6757638 0.71 HSD17B10 (0.39) OPRD1HSD17B10P2RY6
SCHEMBL141450 0.71 HSD17B10 (0.39) OPRD1HSD17B10P2RY6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0777498-B1 CONJUGATES MADE OF METAL COMPLEXES AND OLIGONUCLEOTIDES SCHERING AG (DE) 2004-04-28 EP disclosed
US-20020077306-A1 CONJUGATES MADE OF METAL COMPLEXES AND OLIGONUCLEOTIDES, AGENTS CONTAINING THE CONJUGATES, THEIR USE IN RADIODIAGNOSIS AS WELL AS PROCESS FOR THEIR PRODUCTION BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2002-06-20 US 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-20020077306-A1 CONJUGATES MADE OF METAL COMPLEXES AND OLIGONUCLEOTIDES, AGENTS CONTAINING THE CONJUGATES, THEIR USE IN RADIODIAGNOSIS AS WELL AS PROCESS FOR THEIR PRODUCTION DCLRE1B, RNASE1, DCLRE1A OPRD1 4714/4885HSD17B10 3614/4885P2RY6 4358/4885

“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.