SCHEMBL5057052

SCHEMBL5057052

C[C@@H](CC(=O)O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.59
KMT2A Q03164 2/20 0.50
MDM4 O15151 2/20 0.48
TP53 P04637 2/20 0.48
PIN1 Q13526 1/20 0.48
MDM2 Q00987 2/20 0.46
EPHX2 P34913 1/20 0.46

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
SCHEMBL27704388 1.00 CASP3 (0.59) CASP3KMT2AMDM4TP53PIN1
SCHEMBL5056975 1.00 CASP3 (0.59) CASP3KMT2AMDM4TP53PIN1
SCHEMBL30355270 1.00 CASP3 (0.59) CASP3KMT2AMDM4TP53PIN1
SCHEMBL30896048 0.89 CASP3 (0.52) CASP3KMT2AMDM4TP53PIN1
SCHEMBL1486287 0.89 CASP3 (0.52) CASP3KMT2AMDM4TP53PIN1
SCHEMBL118209 0.89 CASP3 (0.52) CASP3KMT2AMDM4TP53PIN1
SCHEMBL1564185 0.89 CASP3 (0.52) CASP3KMT2AMDM4TP53PIN1
SCHEMBL119497 0.89 CASP3 (0.52) CASP3KMT2AMDM4TP53PIN1
SCHEMBL30896049 0.89 CASP3 (0.52) CASP3KMT2AMDM4TP53PIN1
SCHEMBL6038102 0.89 CASP3 (0.52) CASP3KMT2AMDM4TP53PIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101189253-A Antiinfective lipopeptides CUBIST PHARM INC (US) 2008-05-28 CN disclosed
US-20080051326-A1 Antiinfective Lipopeptides CUBIST PHARMACEUTICALS, INC. 2008-02-28 US disclosed
EP-1814588-A2 ANTIINFECTIVE LIPOPEPTIDES Cubist Pharmaceuticals, Inc. (US) 2007-08-08 EP disclosed
WO-2006110185-A2 ANTIINFECTIVE LIPOPEPTIDES CUBIST PHARMACEUTICALS, INC. (US) 2006-10-19 WO 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-20080051326-A1 Antiinfective Lipopeptides VIP, NGLY1, PREP CASP3 1022/4885KMT2A 4448/4885MDM4 1783/4885

“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.