SCHEMBL402104

SCHEMBL402104

C[C@@H](O)[C@H](NC(=O)CC(N)c1ccc(-c2ccccc2)cc1)C(=O)NO

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PRCP P42785 1/20 0.41

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
SCHEMBL4876495 0.82 TAAR1 (0.44) PRCP
SCHEMBL403964 0.82 TAAR1 (0.44) PRCP
SCHEMBL1095897 0.82 TAAR1 (0.44) PRCP
SCHEMBL4876501 0.82 TAAR1 (0.44) PRCP
SCHEMBL12377258 0.82 KMT2A (0.49) MEN1KMT2APRCP
SCHEMBL401997 0.80 ALDH1A1 (0.60) MEN1KMT2A
SCHEMBL1912140 0.80 ALDH1A1 (0.60) MEN1KMT2A
SCHEMBL403886 0.78 MME (0.47)
SCHEMBL403418 0.78 ALDH1A1 (0.58) MEN1KMT2A
SCHEMBL402103 0.77 CTSC (0.54) PRCP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 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-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS MEN1 2414/4885KMT2A 4800/4885PRCP 721/4885

“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.