SCHEMBL24668492

SCHEMBL24668492

N=C(N)NCCCC[C@H](N)c1noc([C@H](CCC(=O)O)NC(=O)N2CCCC2C(=O)O)n1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.36
▸ REN P00797 2/20 0.36
▸ BMP1 P13497 3/20 0.33
▸ FABP4 P15090 8/20 0.31
▸ FABP5 Q01469 8/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ DPP4 P27487 1/20 0.31
▸ F2 P00734 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
SCHEMBL21168275 0.98 ACE (0.36) ACERENBMP1FABP4FABP5
SCHEMBL21168356 0.98 ACE (0.36) ACERENBMP1FABP4FABP5
SCHEMBL21998929 0.95 BMP1 (0.33) ACERENBMP1FABP4FABP5
SCHEMBL21168299 0.94 ACE (0.36) ACERENBMP1FABP4FABP5
SCHEMBL31489982 0.94 ACE (0.36) ACERENBMP1FABP4FABP5
SCHEMBL21168320 0.94 ACE (0.36) ACERENBMP1FABP4FABP5
SCHEMBL23351265 0.94 FABP4 (0.32) ACEBMP1FABP4FABP5DPP4
SCHEMBL31490055 0.94 ACE (0.36) ACERENBMP1FABP4FABP5
SCHEMBL21168498 0.94 ACE (0.34) ACERENFABP4FABP5DPP4
SCHEMBL21168298 0.93 BMP1 (0.33) ACERENBMP1FABP4FABP5

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 ACE 4765/4885REN 4197/4885BMP1 2217/4885

“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.

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