SCHEMBL20099586

SCHEMBL20099586

CCOC(=O)[C@H](CCOCCO)C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 12/20 0.55
▸ CTSS P25774 3/20 0.46
▸ CTSK P43235 2/20 0.46
▸ ATM Q13315 1/20 0.45
▸ ACE P12821 5/20 0.43
▸ SCN9A Q15858 1/20 0.43
▸ APP P05067 1/20 0.41
▸ BCL2 P10415 1/20 0.40
▸ MMEL1 Q495T6 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 1/20 0.40

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
SCHEMBL20099592 0.95 MME (0.57) MMECTSSCTSKATMACE
SCHEMBL18874682 0.94 MME (0.52) MMECTSSCTSKATMACE
SCHEMBL16941048 0.92 MME (0.65) MMECTSSCTSKATMACE
SCHEMBL18874742 0.92 MME (0.53) MMECTSSCTSKATMACE
SCHEMBL11969730 0.88 MME (0.54) MMECTSSCTSKATMACE
SCHEMBL11970064 0.88 MME (0.54) MMECTSSCTSKATMACE
SCHEMBL18411073 0.88 MME (0.54) MMECTSSCTSKATMACE
SCHEMBL18626437 0.86 MME (0.55) MMECTSSCTSKATMACE
SCHEMBL16941154 0.86 MME (0.66) MMECTSSCTSKATMACE
SCHEMBL20306308 0.86 CTSS (0.56) MMECTSSCTSKATMACE

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-20180118696-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-05-03 — — 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-20180118696-A1 NEPRILYSIN INHIBITORS MME, REN, AGTR1 MME 1/4885CTSS 91/4885CTSK 176/4885

“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.

Send feedback