SCHEMBL21168280

SCHEMBL21168280

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 2/20 0.35
▸ CD274 Q9NZQ7 1/20 0.35
▸ ACE P12821 4/20 0.33
▸ REN P00797 2/20 0.33
▸ FABP4 P15090 10/20 0.33
▸ FABP5 Q01469 10/20 0.33
▸ MME P08473 1/20 0.33
▸ MMEL1 Q495T6 1/20 0.33
▸ THRB P10828 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL21168251 0.92 ACE (0.40) VSIRCD274ACERENFABP4
SCHEMBL21168250 0.92 ACE (0.40) VSIRCD274ACERENFABP4
SCHEMBL21168349 0.88 ACE (0.43) ACERENFABP4FABP5MME
SCHEMBL21168368 0.88 ACE (0.43) ACERENFABP4FABP5MME
SCHEMBL21144505 0.88 ACE (0.38) ACE
SCHEMBL21168297 0.88 ACE (0.38) ACE
SCHEMBL21168343 0.88 ACE (0.38) ACE
SCHEMBL21144509 0.88 ACE (0.38) ACE
SCHEMBL21168347 0.88 ACE (0.40) VSIRCD274ACERENFABP4
SCHEMBL21168285 0.86 ACE (0.45) ACEMMEMMEL1

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-20190218252-A1 1,2,4-Oxadiazole Compounds as Inhibitors of CD47 Signalling AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2019-07-18 — — 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-20190218252-A1 1,2,4-Oxadiazole Compounds as Inhibitors of CD47 Signalling CD47, HIF1AN, PIK3R5 VSIR 2535/4885CD274 106/4885ACE 4810/4885

“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.

Send feedback