SCHEMBL10214906

SCHEMBL10214906

CN(C)C(=O)c1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)OCc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.49
TACR1 P25103 1/20 0.47
PPARA Q07869 1/20 0.46
ACE P12821 1/20 0.46
CTSS P25774 4/20 0.45
CTSB P07858 3/20 0.45
CTSK P43235 3/20 0.45
KLK5 Q9Y337 2/20 0.45
CTSL P07711 1/20 0.45
BCL2 P10415 1/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KLK7 P49862 1/20 0.43

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
SCHEMBL2617283 1.00 PTPN1 (0.49) PTPN1TACR1PPARAACECTSS
SCHEMBL2617284 0.91 PTPN1 (0.58) PTPN1TACR1PPARAACECTSS
SCHEMBL10214908 0.91 PTPN1 (0.58) PTPN1TACR1PPARAACECTSS
SCHEMBL9589331 0.87 PPARA (0.52) PTPN1TACR1PPARAACECTSS
SCHEMBL9589336 0.87 PPARA (0.52) PTPN1TACR1PPARAACECTSS
SCHEMBL13626933 0.85 TACR1 (0.52) PTPN1TACR1PPARAACECTSS
SCHEMBL2617292 0.85 PTPN1 (0.54) PTPN1TACR1PPARAACECTSS
SCHEMBL7709594 0.85 PTPN1 (0.54) PTPN1TACR1PPARAACECTSS
SCHEMBL2617286 0.83 PPARA (0.50) PTPN1TACR1PPARAACECTSS
SCHEMBL10214909 0.83 PPARA (0.50) PTPN1TACR1PPARAACECTSS

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
US-8207340-B2 Imidazopyridinyl benzamide mitotic kinesin inhibitors CYTOKINETICS, INCORPORATED (US) 2012-06-26 US disclosed
US-20090312365-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2009-12-17 US disclosed
US-7582668-B2 Imidazoyl-benzamide anti-cancer agents CYTOKINETICS, INCORPORATED (US) 2009-09-01 US disclosed
US-20070149516-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-28 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 (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-20090312365-A1 Certain Chemical Entities, Compositions, and Methods KIF5B, KIF2C, PLK1 PTPN1 3710/4885TACR1 4183/4885PPARA 2973/4885
US-20070149516-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 PTPN1 3710/4885TACR1 4183/4885PPARA 2973/4885

“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.