SCHEMBL21168380

SCHEMBL21168380

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 1/20 0.35
▸ ACE P12821 3/20 0.35
▸ REN P00797 2/20 0.35
▸ F2 P00734 1/20 0.34
▸ FABP4 P15090 8/20 0.34
▸ FABP5 Q01469 8/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ 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
SCHEMBL21168276 0.95 ACE (0.35) FKBP1AACERENF2FABP4
SCHEMBL21168332 0.95 ACE (0.35) FKBP1AACERENF2FABP4
SCHEMBL21168327 0.94 ACE (0.39) FKBP1AACERENFABP4FABP5
SCHEMBL21168295 0.91 ACE (0.41) ACE
SCHEMBL21168296 0.91 ACE (0.41) ACE
SCHEMBL21168328 0.90 ACE (0.43) FKBP1AACERENFABP4FABP5
SCHEMBL21168279 0.90 ACE (0.43) FKBP1AACERENFABP4FABP5
SCHEMBL21168286 0.90 ACE (0.40) ACE
SCHEMBL24668490 0.89 FKBP1A (0.37) FKBP1ARENF2FABP4FABP5
SCHEMBL23351345 0.88 FKBP1A (0.34) FKBP1AACERENFABP4FABP5

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 6 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-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-20210139536-A1 1,2,4-Oxadiazole Compounds as Inhibitors of CD47 Signalling Pathways AURIGENE ONCOLOGY LIMITED (IN) 2021-05-13 — — 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
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 (6 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 FKBP1A 2991/4885ACE 4765/4885REN 4197/4885
US-20200147054-A1 Combination of Small Molecule CD-47 Inhibitors with Other Anti-Cancer Agents CD47, CD63, CD99 FKBP1A 2991/4885ACE 4765/4885REN 4197/4885
US-11560403-B2 1,2,4-oxadiazole compounds as inhibitors of CD47 signaling pathways CD47, HIF1AN, PIK3R5 FKBP1A 1059/4885ACE 4818/4885REN 4264/4885
US-20230144653-A1 1,2,4-Oxadiazole Compounds as Inhibitors of CD47 Signalling Pathways CD47, HIF1AN, PIK3R5 FKBP1A 940/4885ACE 4811/4885REN 4143/4885
US-20210139536-A1 1,2,4-Oxadiazole Compounds as Inhibitors of CD47 Signalling Pathways CD47, HIF1AN, PIK3R5 FKBP1A 940/4885ACE 4811/4885REN 4143/4885
US-20190218252-A1 1,2,4-Oxadiazole Compounds as Inhibitors of CD47 Signalling CD47, HIF1AN, PIK3R5 FKBP1A 971/4885ACE 4810/4885REN 4116/4885

“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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