SCHEMBL21168308

SCHEMBL21168308

N[C@@H](CCC(=O)O)c1noc([C@H](CO)NC(=O)N2CCC[C@@H]2C(=O)O)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 4/20 0.42
▸ REN P00797 3/20 0.42
▸ VSIR Q9H7M9 2/20 0.35
▸ CD274 Q9NZQ7 1/20 0.35
▸ FABP4 P15090 6/20 0.34
▸ FABP5 Q01469 6/20 0.34
▸ MME P08473 1/20 0.34
▸ MMEL1 Q495T6 1/20 0.34
▸ LTA4H P09960 2/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ FAP Q12884 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP9 Q86TI2 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL21168307 1.00 ACE (0.42) ACERENVSIRCD274FABP4
SCHEMBL23351171 0.94 ACE (0.38) ACERENVSIRCD274FABP4
SCHEMBL21168368 0.94 ACE (0.43) ACERENFABP4FABP5MME
SCHEMBL21168349 0.94 ACE (0.43) ACERENFABP4FABP5MME
SCHEMBL25476887 0.93 VSIR (0.36) ACERENVSIRCD274DPP4
SCHEMBL21168251 0.91 ACE (0.40) ACERENVSIRCD274FABP4
SCHEMBL21168250 0.91 ACE (0.40) ACERENVSIRCD274FABP4
SCHEMBL21999107 0.89 ACE (0.40) ACERENVSIRCD274FABP4
SCHEMBL21168347 0.88 ACE (0.40) ACERENVSIRCD274FABP4
SCHEMBL21168326 0.88 ACE (0.46) ACEMMEMMEL1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230144653-A1 1,2,4-Oxadiazole Compounds as Inhibitors of CD47 Signalling Pathways AURIGENE ONCOLOGY LIMITED (IN) 2023-05-11 — — US disclosed
US-11560403-B2 1,2,4-oxadiazole compounds as inhibitors of CD47 signaling pathways AURIGENE ONCOLOGY LIMITED (IN) 2023-01-24 — — US disclosed
US-20210139536-A1 1,2,4-Oxadiazole Compounds as Inhibitors of CD47 Signalling Pathways AURIGENE ONCOLOGY LIMITED (IN) 2021-05-13 — — US disclosed
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 (4 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-11560403-B2 1,2,4-oxadiazole compounds as inhibitors of CD47 signaling pathways CD47, HIF1AN, PIK3R5 ACE 4818/4885REN 4264/4885VSIR 2881/4885
US-20230144653-A1 1,2,4-Oxadiazole Compounds as Inhibitors of CD47 Signalling Pathways CD47, HIF1AN, PIK3R5 ACE 4811/4885REN 4143/4885VSIR 2875/4885
US-20210139536-A1 1,2,4-Oxadiazole Compounds as Inhibitors of CD47 Signalling Pathways CD47, HIF1AN, PIK3R5 ACE 4811/4885REN 4143/4885VSIR 2875/4885
US-20190218252-A1 1,2,4-Oxadiazole Compounds as Inhibitors of CD47 Signalling CD47, HIF1AN, PIK3R5 ACE 4810/4885REN 4116/4885VSIR 2535/4885

“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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