SCHEMBL21168269

SCHEMBL21168269

N[C@@H](Cc1ccccc1)c1noc(CNC(=O)N2CCCC2C(=O)O)n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 5/20 0.47
▸ ACE P12821 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ FKBP1A P62942 2/20 0.45
▸ POLB P06746 1/20 0.43
▸ F2 P00734 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ MME P08473 1/20 0.42
▸ MMEL1 Q495T6 1/20 0.42

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
SCHEMBL21168268 1.00 LTA4H (0.47) LTA4HACEALDH1A1CYP3A4CYP2C9
SCHEMBL25476852 0.93 CYP3A4 (0.46) ACEALDH1A1CYP3A4CYP2C9PKM
SCHEMBL21999092 0.91 FKBP1A (0.48) LTA4HACEALDH1A1CYP3A4CYP2C9
SCHEMBL21168279 0.84 ACE (0.43) LTA4HACEALDH1A1CYP3A4CYP2C9
SCHEMBL24058760 0.84 REN (0.39) LTA4HACECYP3A4CYP2C9PKM
SCHEMBL21168328 0.84 ACE (0.43) LTA4HACEALDH1A1CYP3A4CYP2C9
SCHEMBL24668850 0.83 DPP4 (0.43) ALDH1A1CYP3A4
SCHEMBL21168276 0.83 ACE (0.35) ACEALDH1A1CYP3A4CYP2C9PKM
SCHEMBL21168332 0.83 ACE (0.35) ACEALDH1A1CYP3A4CYP2C9PKM
SCHEMBL24058544 0.83 ACE (0.37) LTA4HACECYP3A4CYP2C9PKM

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 8 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-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-20220241248-A1 COMBINATION OF SMALL MOLECULE CD-47 INHIBITORS WITH OTHER ANTI-CANCER AGENTS AURIGENE ONCOLOGY LIMITED (IN) 2022-08-04 — — 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 (7 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 LTA4H 4549/4885ACE 4765/4885ALDH1A1 3229/4885
US-20200147054-A1 Combination of Small Molecule CD-47 Inhibitors with Other Anti-Cancer Agents CD47, CD63, CD99 LTA4H 4549/4885ACE 4765/4885ALDH1A1 3229/4885
US-11560403-B2 1,2,4-oxadiazole compounds as inhibitors of CD47 signaling pathways CD47, HIF1AN, PIK3R5 LTA4H 4359/4885ACE 4818/4885ALDH1A1 3241/4885
US-20220241248-A1 COMBINATION OF SMALL MOLECULE CD-47 INHIBITORS WITH OTHER ANTI-CANCER AGENTS CD47, CD63, CD99 LTA4H 4549/4885ACE 4765/4885ALDH1A1 3229/4885
US-20230144653-A1 1,2,4-Oxadiazole Compounds as Inhibitors of CD47 Signalling Pathways CD47, HIF1AN, PIK3R5 LTA4H 4332/4885ACE 4811/4885ALDH1A1 3316/4885
US-20210139536-A1 1,2,4-Oxadiazole Compounds as Inhibitors of CD47 Signalling Pathways CD47, HIF1AN, PIK3R5 LTA4H 4332/4885ACE 4811/4885ALDH1A1 3316/4885
US-20190218252-A1 1,2,4-Oxadiazole Compounds as Inhibitors of CD47 Signalling CD47, HIF1AN, PIK3R5 LTA4H 4277/4885ACE 4810/4885ALDH1A1 3028/4885

“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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