SCHEMBL4372998

SCHEMBL4372998

CC(C)C(NC(=O)OC(C)(C)C)C(=N)NCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
CTSK P43235 3/20 0.53
BACE1 P56817 10/20 0.51
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50
KLK5 Q9Y337 1/20 0.49
CTSS P25774 3/20 0.49
ALDH1A1 P00352 1/20 0.49
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA7 P43166 1/20 0.48
CA14 Q9ULX7 1/20 0.48

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
SCHEMBL4372981 1.00 ATM (0.53) ATMCTSKBACE1PPARGPPARA
SCHEMBL4750042 0.87 CTSS (0.61) CTSKBACE1CTSS
SCHEMBL1752665 0.81 CTSS (0.57) CTSKBACE1CTSS
SCHEMBL29253632 0.79 BACE1 (0.59) ATMCTSKBACE1CTSSCTSL
SCHEMBL30279569 0.79 BACE1 (0.59) ATMCTSKBACE1CTSSCTSL
SCHEMBL2393583 0.79 BACE1 (0.59) ATMCTSKBACE1CTSSCTSL
SCHEMBL8549086 0.79 CTSS (0.64) ATMCTSKBACE1CTSSCTSL
SCHEMBL8549092 0.79 CTSS (0.64) ATMCTSKBACE1CTSSCTSL
SCHEMBL3235114 0.79 CTSS (0.51) ATMCTSKBACE1CTSS
SCHEMBL3495258 0.79 CTSS (0.51) ATMCTSKBACE1CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482343-B2 Compounds, methods and compositions CYTOKINETICS, INC. (US) 2009-01-27 US disclosed
US-20070135432-A1 Compounds, methods and compositions CYTOKINETICS, INC. 2007-06-14 US disclosed
US-7166595-B2 Compounds, methods and compositions CYTOKINETICS, INC. (US) 2007-01-23 US disclosed
EP-1503993-A4 COMPOUNDS, METHODS AND COMPOSITIONS CYTOKINETICS INC (US) 2006-05-03 EP disclosed
EP-1503993-A2 COMPOUNDS, METHODS AND COMPOSITIONS Cytokinetics, Inc. (US) 2005-02-09 EP disclosed
US-20040077662-A1 Compounds, methods and compositions CYTOKINETICS, INC. 2004-04-22 US disclosed
WO-2003094839-A2 PYRIMIDINONE COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2003-11-20 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 (2 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-20040077662-A1 Compounds, methods and compositions ALPP, PCNA, MKI67 ATM 1700/4885CTSK 1454/4885BACE1 4501/4885
US-20070135432-A1 Compounds, methods and compositions ALPP, PCNA, MKI67 ATM 1700/4885CTSK 1454/4885BACE1 4501/4885

“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.