SCHEMBL506749

SCHEMBL506749

CCCCCCCCCCCCCCNC(=O)C(CO)NC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.55
CTSS P25774 4/20 0.55
CAPN1 P07384 1/20 0.54
TDP1 Q9NUW8 1/20 0.51
PTPN1 P18031 3/20 0.47
PTPRA P18433 1/20 0.47
EPHX1 P07099 2/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
SIRT6 Q8N6T7 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
LPAR3 Q9UBY5 4/20 0.44
LPAR1 Q92633 2/20 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
SCHEMBL21561570 1.00 CTSK (0.55) CTSKCTSSCAPN1TDP1PTPN1
SCHEMBL506750 1.00 CTSK (0.55) CTSKCTSSCAPN1TDP1PTPN1
SCHEMBL20542796 0.89 CTSK (0.70) CTSKCTSSCAPN1TDP1PTPN1
SCHEMBL20542797 0.89 CTSK (0.70) CTSKCTSSCAPN1TDP1PTPN1
SCHEMBL12155120 0.88 CTSK (0.56) CTSKCTSSCAPN1CTSLCTSB
SCHEMBL24072863 0.88 CTSK (0.54) CTSKCTSSCAPN1TDP1PTPN1
SCHEMBL13501917 0.87 CTSK (0.46) CTSKCTSSCAPN1TDP1PTPN1
SCHEMBL20543144 0.86 CAPN1 (0.72) CTSKCTSSCAPN1TDP1PTPN1
SCHEMBL20542827 0.86 CAPN1 (0.72) CTSKCTSSCAPN1TDP1PTPN1
SCHEMBL23007632 0.86 CTSK (0.53) CTSKCTSSCAPN1TDP1PTPN1

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
US-8853452-B2 Compounds, their syntheses, compositions, and methods to treat cancer THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2014-10-07 US disclosed
US-20120027844-A1 COMPOUNDS, THEIR SYNTHESES, COMPOSITIONS, AND METHODS TO TREAT CANCER XAVIER UNIVERSITY OF LOUISIANA (US) 2012-02-02 US disclosed
WO-2010093615-A2 COMPOUNDS, THEIR SYNTHESES, COMPOSITIONS, AND METHODS TO TREAT CANCER TULANE UNIVERSITY (US) 2010-08-19 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-20120027844-A1 COMPOUNDS, THEIR SYNTHESES, COMPOSITIONS, AND METHODS TO TREAT CANCER SGMS1, PHOSPHO1, MCL1 CTSK 337/4885CTSS 223/4885CAPN1 3465/4885

“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.