SCHEMBL16273799

SCHEMBL16273799

CCc1ccc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 13/20 0.46
▸ NPY5R Q15761 8/20 0.46
▸ NPY1R P25929 7/20 0.46
▸ NPY2R P49146 5/20 0.46
▸ FAP Q12884 5/20 0.43
▸ FURIN P09958 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
SCHEMBL9943152 0.94 FAP (0.47) NPY4RNPY5RNPY1RNPY2RFAP
SCHEMBL24520454 0.94 FAP (0.47) NPY4RNPY5RNPY1RNPY2RFAP
SCHEMBL29307971 0.91 FAP (0.41) NPY4RNPY5RNPY1RNPY2RFAP
SCHEMBL21649698 0.88 FURIN (0.44) NPY4RNPY5RNPY1RNPY2RFAP
SCHEMBL22336596 0.88 FURIN (0.44) NPY4RNPY5RNPY1RNPY2RFAP
SCHEMBL16273832 0.88 FAP (0.49) FAPFURIN
SCHEMBL27432486 0.88 FAP (0.46) NPY4RNPY5RNPY1RNPY2RFAP
SCHEMBL22952275 0.88 FAP (0.44) NPY4RNPY5RNPY1RNPY2RFAP
SCHEMBL16266214 0.88 FAP (0.44) NPY4RNPY5RNPY1RNPY2RFAP
SCHEMBL21416485 0.88 FAP (0.44) NPY4RNPY5RNPY1RNPY2RFAP

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-9803002-B2 Anti-wall teichoic antibodies and conjugates Genentench, Inc. (US) 2017-10-31 — — US disclosed
US-20140356376-A1 ANTI-WALL TEICHOIC ANTIBODIES AND CONJUGATES GENENTECH, INC. (US) 2014-12-04 — — 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-20140356376-A1 ANTI-WALL TEICHOIC ANTIBODIES AND CONJUGATES STT3A, STT3B, DDOST NPY4R 4262/4885NPY5R 3485/4885NPY1R 4691/4885

“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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