SCHEMBL21168313

SCHEMBL21168313

N=C(N)NCCC[C@H](NC(=O)N1CCCC1C(=O)O)c1nc([C@@H](N)Cc2c[nH]c3ccccc23)no1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.40
▸ DPP4 P27487 1/20 0.39
▸ CXCR4 P61073 3/20 0.39
▸ BCHE P06276 1/20 0.39
▸ DPP3 Q9NY33 1/20 0.38
▸ CTSL P07711 3/20 0.37
▸ CTSS P25774 3/20 0.37
▸ CTSK P43235 3/20 0.37
▸ CTSH P09668 1/20 0.37
▸ SMYD3 Q9H7B4 1/20 0.37
▸ TACR1 P25103 1/20 0.37
▸ MC4R P32245 2/20 0.37
▸ MC1R Q01726 2/20 0.37
▸ KISS1R Q969F8 1/20 0.37
▸ MC3R P41968 1/20 0.37
▸ F2 P00734 3/20 0.36

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
SCHEMBL21168312 1.00 CYP2C19 (0.40) CYP2C19DPP4CXCR4BCHEDPP3
SCHEMBL25476873 0.94 DPP4 (0.39) DPP4CXCR4BCHEDPP3CTSL
SCHEMBL21168335 0.88 MME (0.40) F2
SCHEMBL21168334 0.88 MME (0.40) F2
SCHEMBL21168290 0.84 FABP4 (0.32) DPP4
SCHEMBL21168289 0.84 FABP4 (0.32) DPP4
SCHEMBL21168350 0.84 CYP2C19 (0.43) CYP2C19DPP4BCHEDPP3SMYD3
SCHEMBL21168357 0.84 CYP2C19 (0.43) CYP2C19DPP4BCHEDPP3SMYD3
SCHEMBL21168348 0.84 CYP2C19 (0.43) CYP2C19DPP4BCHEDPP3SMYD3
SCHEMBL21168491 0.84 FKBP1A (0.41) F2

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 5 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-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 CYP2C19 4793/4885DPP4 4769/4885CXCR4 1133/4885
US-20230144653-A1 1,2,4-Oxadiazole Compounds as Inhibitors of CD47 Signalling Pathways CD47, HIF1AN, PIK3R5 CYP2C19 4760/4885DPP4 4748/4885CXCR4 1150/4885
US-20210139536-A1 1,2,4-Oxadiazole Compounds as Inhibitors of CD47 Signalling Pathways CD47, HIF1AN, PIK3R5 CYP2C19 4760/4885DPP4 4748/4885CXCR4 1150/4885
US-20190218252-A1 1,2,4-Oxadiazole Compounds as Inhibitors of CD47 Signalling CD47, HIF1AN, PIK3R5 CYP2C19 4764/4885DPP4 4730/4885CXCR4 1149/4885

“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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