SCHEMBL5120950

SCHEMBL5120950

CC(C)C(NC(=O)OCc1ccccc1)C(=O)F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.60
CTSK P43235 4/20 0.60
CTSS P25774 3/20 0.60
CTSB P07858 3/20 0.60
ATM Q13315 1/20 0.56
ELANE P08246 2/20 0.55
PRTN3 P24158 1/20 0.55
CASP3 P42574 3/20 0.54
CASP1 P29466 2/20 0.54
CASP7 P55210 2/20 0.54
CASP6 P55212 2/20 0.54
CASP8 Q14790 2/20 0.54
CA2 P00918 1/20 0.54
CA5A P35218 1/20 0.54
CASP9 P55211 1/20 0.54
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
KMT2A Q03164 1/20 0.53
CAPN1 P07384 1/20 0.53
CTRB1 P17538 1/20 0.52

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
SCHEMBL5338870 1.00 CTSL (0.60) CTSLCTSKCTSSCTSBATM
SCHEMBL1287168 0.88 CTSL (0.63) CTSLCTSKCTSSCTSBATM
SCHEMBL8671882 0.88 CTSL (0.63) CTSLCTSKCTSSCTSBATM
SCHEMBL2978398 0.88 CTSL (0.63) CTSLCTSKCTSSCTSBATM
SCHEMBL220569 0.88 CTSL (0.63) CTSLCTSKCTSSCTSBATM
SCHEMBL17704241 0.87 CTSL (0.62) CTSLCTSKCTSSCTSBATM
SCHEMBL1908598 0.87 CTSK (0.62) CTSLCTSKCTSSCTSBATM
SCHEMBL8132812 0.87 CTSL (0.62) CTSLCTSKCTSSCTSBATM
SCHEMBL8346816 0.87 CTSL (0.62) CTSLCTSKCTSSCTSBATM
SCHEMBL28892051 0.87 TRPM8 (0.62) CTSLCTSKCTSSCTSBATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312310-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. 2008-12-18 US disclosed
US-7332498-B2 Modulation of KSP kinesin activity with heterocyclic-fused pyrimidinone derivatives CYTOKINETICS, INC. (US) 2008-02-19 US disclosed
EP-1513820-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2006-09-13 EP disclosed
US-20060111374-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2006-05-25 US disclosed
US-7038048-B2 3H-pyridopyrimidin-4-one compounds, compositions, and methods of their use CYTOKINETICS, INC. (US) 2006-05-02 US disclosed
EP-1513820-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2005-03-16 EP disclosed
US-20040116438-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2004-06-17 US disclosed
WO-2003103575-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2003-12-18 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-20060111374-A1 Compounds, compositions, and methods ALPP, MKI67, PCNA CTSL 2482/4885CTSK 897/4885CTSS 1204/4885
US-20080312310-A1 Compounds, Compositions and Methods ALPP, PCNA, MKI67 CTSL 3133/4885CTSK 1223/4885CTSS 1651/4885

“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.