SCHEMBL31235874

SCHEMBL31235874

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 6/20 0.58
▸ NPY1R P25929 1/20 0.55
▸ NPY2R P49146 1/20 0.55
▸ NPY4R P50391 1/20 0.55
▸ NPY5R Q15761 1/20 0.55
▸ CTSL P07711 3/20 0.55
▸ CTSS P25774 3/20 0.55
▸ CTSK P43235 3/20 0.55
▸ CTSH P09668 1/20 0.55
▸ CCKBR P32239 3/20 0.54
▸ CCKAR P32238 1/20 0.54
▸ CXCL8 P10145 5/20 0.53
▸ DPP3 Q9NY33 2/20 0.53

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
SCHEMBL30343341 0.91 DPP3 (0.55) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31235881 0.89 DPP3 (0.57) CXCR4CCKBRCCKARCXCL8DPP3
SCHEMBL30512541 0.88 CTSL (0.61) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29412263 0.88 CXCR4 (0.61) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30273393 0.88 CXCR4 (0.61) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31001651 0.87 CXCR4 (0.59) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31665985 0.87 CXCR4 (0.64) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30735734 0.86 CXCR4 (0.58) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL29845535 0.86 CXCR4 (0.60) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30381291 0.86 KISS1R (0.56) CXCR4CTSLCTSSCTSKCTSH

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-20240376517-A1 GRANZYME B DETECTION THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2024-11-14 — — 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-20240376517-A1 GRANZYME B DETECTION GZMB, CTSB, DNASE1L3 CXCR4 1513/4885NPY1R 1620/4885NPY2R 1821/4885

“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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