SCHEMBL9935344

SCHEMBL9935344

O=C(NN(Cc1ccc(-c2ccccc2)cc1)CC(O)C(=O)O)c1ccn[nH]1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 18/20 0.60
▸ ACE P12821 3/20 0.53
▸ NPC1 O15118 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ L3MBTL1 Q9Y468 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
SCHEMBL9935764 0.84 MME (0.52) MMEACE
SCHEMBL9937115 0.84 MME (0.61) MMEACE
SCHEMBL9935754 0.84 MME (0.52) MMEACE
SCHEMBL16458841 0.84 MME (0.61) MMEACE
SCHEMBL9940396 0.82 MME (0.55) MMEACE
SCHEMBL15324701 0.82 MME (0.55) MMEACE
SCHEMBL9971013 0.82 MME (0.55) MMEACE
SCHEMBL16458732 0.79 MME (0.52) MMEACE
SCHEMBL9935468 0.79 MME (0.52) MMEACE
SCHEMBL9935584 0.78 MME (0.64) MMEACE

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-20120157386-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-06-21 — — 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-20120157386-A1 NEPRILYSIN INHIBITORS MME, REN, ACE MME 1/4885ACE 3/4885NPC1 194/4885

“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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