SCHEMBL21473417

SCHEMBL21473417

COCCOCCOC(=O)N[C@@H](CCC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(N)=O

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 9/20 0.65
▸ CTSL P07711 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ REN P00797 1/20 0.43
▸ PSMB5 P28074 1/20 0.43

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
SCHEMBL3837378 0.92 CAPN1 (0.75) CAPN1CTSLRENPSMB5
SCHEMBL3837382 0.92 CAPN1 (0.75) CAPN1CTSLRENPSMB5
SCHEMBL19661345 0.92 CAPN1 (0.75) CAPN1CTSLRENPSMB5
SCHEMBL20880302 0.82 CAPN1 (0.72) CAPN1CTSLRENPSMB5
SCHEMBL20880287 0.80 CAPN1 (0.75) CAPN1CTSLPSMB5
SCHEMBL13954130 0.80 CAPN1 (0.75) CAPN1CTSLPSMB5
SCHEMBL13954301 0.80 CAPN1 (0.75) CAPN1CTSLPSMB5
SCHEMBL20474484 0.80 CAPN1 (0.76) CAPN1CTSLRENPSMB5
SCHEMBL20474487 0.80 CAPN1 (0.76) CAPN1CTSLRENPSMB5
SCHEMBL19661351 0.79 CAPN1 (0.68) CAPN1CTSL

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-20190314320-A1 COMPOSITION FOR TREATMENT AND/OR PREVENTION OF PERIPHERAL NERVE DISORDER OSAKA CITY UNIVERSITY (JP) 2019-10-17 — — 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-20190314320-A1 COMPOSITION FOR TREATMENT AND/OR PREVENTION OF PERIPHERAL NERVE DISORDER PMP22, PRPH, NGF CAPN1 4158/4885CTSL 4677/4885ALDH1A1 2116/4885

“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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