SCHEMBL4430880

SCHEMBL4430880

Cc1c(C)c(S(=O)(=O)NC(=N)NCCC[C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c2c1OC(C)(C)CC2

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.39
KMT2A Q03164 1/20 0.36
PLG P00747 2/20 0.35
F10 P00742 1/20 0.35
PLAU P00749 1/20 0.35
KLKB1 P03952 1/20 0.35
MDM2 Q00987 5/20 0.34

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
SCHEMBL2367323 0.91 MDM2 (0.42) CASP3PLGF10PLAUKLKB1
SCHEMBL2366956 0.91 MDM2 (0.42) CASP3PLGF10PLAUKLKB1
SCHEMBL29469785 0.91 MDM2 (0.42) CASP3PLGF10PLAUKLKB1
SCHEMBL4094903 0.89 PLG (0.37) CASP3KMT2APLGF10PLAU
SCHEMBL14374808 0.89 PLG (0.36) CASP3KMT2APLGF10PLAU
SCHEMBL29483211 0.87 HDAC3 (0.41) CASP3KMT2APLGF10PLAU
SCHEMBL8961420 0.85 KMT2A (0.38) CASP3KMT2APLGF10PLAU
SCHEMBL2366962 0.84 PLG (0.37) KMT2APLGF10PLAUKLKB1
SCHEMBL2367324 0.84 PLG (0.37) KMT2APLGF10PLAUKLKB1
SCHEMBL12214883 0.84 PLG (0.34) CASP3KMT2APLGF10PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125739-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2009-12-02 EP disclosed
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 US disclosed
WO-2008079371-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-07-03 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-20080188528-A1 Modulators of C3a receptor and methods of use thereof C3AR1, C5, C5AR1 CASP3 1985/4885KMT2A 2978/4885PLG 52/4885

“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.