SCHEMBL24668488

SCHEMBL24668488

N=C(N)NCCC[C@H](NC(=O)N[C@@H](CCCOCN)C(=O)O)c1nc([C@@H](N)CCC(N)=O)no1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
VSIR Q9H7M9 2/20 0.38
CD274 Q9NZQ7 1/20 0.38
FOLH1 Q04609 6/20 0.32
C3AR1 Q16581 1/20 0.30

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
SCHEMBL21168369 0.92 VSIR (0.42) VSIRCD274FOLH1C3AR1
SCHEMBL21168272 0.91 VSIR (0.43) VSIRCD274FOLH1
SCHEMBL21168358 0.91 VSIR (0.43) VSIRCD274FOLH1C3AR1
SCHEMBL21168371 0.88 VSIR (0.42) VSIRCD274FOLH1
SCHEMBL23351216 0.88 VSIR (0.42) VSIRCD274FOLH1C3AR1
SCHEMBL21999114 0.88 VSIR (0.42) VSIRCD274FOLH1C3AR1
SCHEMBL21168267 0.86 VSIR (0.46) VSIRCD274FOLH1C3AR1
SCHEMBL21168315 0.85 FOLH1 (0.41) VSIRCD274FOLH1
SCHEMBL21168316 0.85 FOLH1 (0.47) VSIRCD274FOLH1
SCHEMBL21168311 0.84 VSIR (0.42) VSIRCD274FOLH1C3AR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220241248-A1 COMBINATION OF SMALL MOLECULE CD-47 INHIBITORS WITH OTHER ANTI-CANCER AGENTS AURIGENE ONCOLOGY LIMITED (IN) 2022-08-04 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-20220241248-A1 COMBINATION OF SMALL MOLECULE CD-47 INHIBITORS WITH OTHER ANTI-CANCER AGENTS CD47, CD63, CD99 VSIR 2447/4885CD274 20/4885FOLH1 1153/4885

“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.