SCHEMBL10035698

SCHEMBL10035698

CC(C)NCCCNC(=O)[C@H](C)NC(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.57
CTSK P43235 6/20 0.54
CAPN1 P07384 1/20 0.53
CAPN2 P17655 1/20 0.53
TPSAB1 Q15661 2/20 0.53
PLG P00747 1/20 0.53
PRSS1 P07477 1/20 0.53
CTSS P25774 4/20 0.50
CTSL P07711 3/20 0.50
HTT P42858 1/20 0.50
CTSB P07858 2/20 0.49

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
SCHEMBL9136357 0.88 CTSK (0.62) CYP1A2CTSKTPSAB1PLGPRSS1
SCHEMBL12294550 0.88 CYP2D6 (0.62) CYP1A2CTSKCAPN1CAPN2TPSAB1
SCHEMBL20542838 0.85 SIRT2 (0.60)
SCHEMBL20542840 0.85 SIRT2 (0.60)
SCHEMBL10481494 0.85 SIRT2 (0.60)
SCHEMBL8502694 0.85 CYP1A2 (0.58) CYP1A2CTSKTPSAB1PLGPRSS1
SCHEMBL11702018 0.85 CYP1A2 (0.58) CYP1A2CTSKCAPN1CAPN2TPSAB1
SCHEMBL10957418 0.85 CYP1A2 (0.58) CYP1A2CTSKCAPN1CAPN2TPSAB1
SCHEMBL15318479 0.85 CA5A (0.62) CYP1A2CTSKTPSAB1PLGPRSS1
SCHEMBL10954836 0.85 CA5A (0.62) CYP1A2CTSKTPSAB1PLGPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119653-B2 Belactosin derivatives as therapeutic agents/biological probes and their synthesis THE TEXAS A&M UNIVERSITY SYSTEM (US) 2012-02-21 US disclosed
US-20090042922-A1 NOVEL BELACTOSIN DERIVATIVES AS THERAPEUTIC AGENTS/BIOLOGICAL PROBES AND THEIR SYNTHESIS NATIONAL SCIENCE FOUNDATION 2009-02-12 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 (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-20090042922-A1 NOVEL BELACTOSIN DERIVATIVES AS THERAPEUTIC AGENTS/BIOLOGICAL PROBES AND THEIR SYNTHESIS PSMB1, PSMB10, PBK CYP1A2 3211/4885CTSK 98/4885CAPN1 2239/4885

“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.