SCHEMBL21168270

SCHEMBL21168270

COC(=O)CCC[C@H](N)c1noc(C(CCCNC(=N)N)NC(=O)N2CCCC2C(=O)OC)n1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PEPD P12955 2/20 0.33
▸ XPNPEP1 Q9NQW7 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ DPP4 P27487 1/20 0.31

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
SCHEMBL21168271 0.96 PEPD (0.33) PEPDXPNPEP1LMNARAB9ASMN1; SMN2
SCHEMBL21168277 0.96 PEPD (0.33) PEPDXPNPEP1LMNARAB9ASMN1; SMN2
SCHEMBL21168500 0.94 PEPD (0.33) PEPDXPNPEP1LMNARAB9ASMN1; SMN2
SCHEMBL21168341 0.92 PEPD (0.33) PEPDXPNPEP1LMNARAB9ASMN1; SMN2
SCHEMBL21168339 0.92 PEPD (0.33) PEPDXPNPEP1LMNARAB9ASMN1; SMN2
SCHEMBL25476870 0.88 F2 (0.32) DPP4
SCHEMBL21168363 0.87 BMP1 (0.31) DPP4
SCHEMBL21168290 0.87 FABP4 (0.32) DPP4
SCHEMBL21168289 0.87 FABP4 (0.32) DPP4
SCHEMBL21168498 0.86 ACE (0.34) DPP4

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 PEPD 4836/4885XPNPEP1 3013/4885LMNA 3138/4885

“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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