SCHEMBL21999107

SCHEMBL21999107

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.40
▸ REN P00797 2/20 0.40
▸ FABP4 P15090 8/20 0.34
▸ FABP5 Q01469 8/20 0.34
▸ MME P08473 1/20 0.33
▸ MMEL1 Q495T6 1/20 0.33
▸ VSIR Q9H7M9 2/20 0.33
▸ CD274 Q9NZQ7 1/20 0.33
▸ LTA4H P09960 2/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ FAP Q12884 1/20 0.32
▸ DPP8 Q6V1X1 1/20 0.32
▸ DPP9 Q86TI2 1/20 0.32
▸ DPP7 Q9UHL4 1/20 0.32

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
SCHEMBL21168368 0.94 ACE (0.43) ACERENFABP4FABP5MME
SCHEMBL21168349 0.94 ACE (0.43) ACERENFABP4FABP5MME
SCHEMBL21168251 0.91 ACE (0.40) ACERENFABP4FABP5MME
SCHEMBL21168250 0.91 ACE (0.40) ACERENFABP4FABP5MME
SCHEMBL21168347 0.90 ACE (0.40) ACERENFABP4FABP5MME
SCHEMBL21168308 0.89 ACE (0.42) ACERENFABP4FABP5MME
SCHEMBL21168307 0.89 ACE (0.42) ACERENFABP4FABP5MME
SCHEMBL21168492 0.88 ACE (0.39) ACE
SCHEMBL25476876 0.87 ACE (0.37) ACERENFABP4FABP5VSIR
SCHEMBL21168356 0.86 ACE (0.36) ACERENFABP4FABP5MME

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
US-11311517-B2 Combination of small molecule CD-47 inhibitors with other anti-cancer agents AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2022-04-26 — — US disclosed
US-20200147054-A1 Combination of Small Molecule CD-47 Inhibitors with Other Anti-Cancer Agents AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2020-05-14 — — 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 (2 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-11311517-B2 Combination of small molecule CD-47 inhibitors with other anti-cancer agents CD47, CD63, CD99 ACE 4765/4885REN 4197/4885FABP4 4619/4885
US-20200147054-A1 Combination of Small Molecule CD-47 Inhibitors with Other Anti-Cancer Agents CD47, CD63, CD99 ACE 4765/4885REN 4197/4885FABP4 4619/4885

“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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