SCHEMBL21168491

SCHEMBL21168491

N=C(N)NCCC[C@H](NC(=O)N1CCCC1C(=O)O)c1nc([C@@H](N)CCc2ccccc2)no1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 3/20 0.41
▸ ACE P12821 8/20 0.41
▸ LMNA P02545 1/20 0.38
▸ EPHX2 P34913 2/20 0.37
▸ F2 P00734 1/20 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
SCHEMBL21168334 0.93 MME (0.40) FKBP1AACEF2
SCHEMBL21168335 0.93 MME (0.40) FKBP1AACEF2
SCHEMBL21168290 0.91 FABP4 (0.32) FKBP1A
SCHEMBL21168289 0.91 FABP4 (0.32) FKBP1A
SCHEMBL23351265 0.90 FABP4 (0.32) FKBP1AACE
SCHEMBL21168340 0.89 ACE (0.33) FKBP1AACE
SCHEMBL21168362 0.89 ACE (0.33) FKBP1AACE
SCHEMBL21168353 0.89 VSIR (0.35) FKBP1AACE
SCHEMBL21168342 0.89 VSIR (0.35) FKBP1AACE
SCHEMBL21168352 0.89 VSIR (0.35) FKBP1AACE

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 FKBP1A 971/4885ACE 4810/4885LMNA 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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