SCHEMBL13411397

SCHEMBL13411397

CCOC(=O)[C@@H]1CC(=O)CCC1N1CC[C@H](NC(=O)OCc2ccccc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.43
CASP3 P42574 2/20 0.42
CPB1 P15086 1/20 0.42
CTSK P43235 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.40
CASP1 P29466 1/20 0.40
NAAA Q02083 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
SCHEMBL1841237 1.00 PREP (0.43) PREPCASP3CPB1CTSKMEN1
SCHEMBL3736224 0.93 CPB1 (0.50) PREPCASP3CPB1CTSKMEN1
SCHEMBL3736228 0.93 CPB1 (0.50) PREPCASP3CPB1CTSKMEN1
SCHEMBL3736230 0.93 CPB1 (0.50) PREPCASP3CPB1CTSKMEN1
SCHEMBL2344349 0.89 PREP (0.46) PREPCASP3CTSKGAACASP1
SCHEMBL2344340 0.89 PREP (0.46) PREPCASP3CTSKGAACASP1
SCHEMBL3625795 0.89 PREP (0.46) PREPCASP3CTSKGAACASP1
SCHEMBL13446212 0.85 CASP3 (0.45) PREPCASP3CTSKMEN1KMT2A
SCHEMBL3250376 0.85 CASP3 (0.47) PREPCASP3CTSKMEN1KMT2A
SCHEMBL27647296 0.84 CPB1 (0.46) PREPCASP3CPB1CTSKMEN1

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-7671062-B2 Modulators of chemokine receptor activity, crystalline forms and process BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-02 US disclosed
US-20080027083-A1 MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CRYSTALLINE FORMS AND PROCESS BRISTOL-MYERS SQUIBB COMPANY 2008-01-31 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-20080027083-A1 MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CRYSTALLINE FORMS AND PROCESS ACKR3, CCR1, CCR2 PREP 1642/4885CASP3 1564/4885CPB1 1227/4885

“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.