SCHEMBL5311477

SCHEMBL5311477

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

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.52
KLK5 Q9Y337 2/20 0.51
CASP1 P29466 1/20 0.50
CASP3 P42574 1/20 0.50
CASP7 P55210 1/20 0.50
CASP6 P55212 1/20 0.50
CASP8 Q14790 1/20 0.50
PPARA Q07869 1/20 0.49
KLK7 P49862 1/20 0.48
CTSS P25774 2/20 0.47
CTSL P07711 2/20 0.47
CTSB P07858 1/20 0.47
CTSK P43235 1/20 0.47
APP P05067 1/20 0.47
CAPN1 P07384 1/20 0.47
CMA1 P23946 1/20 0.47
ATM Q13315 1/20 0.46
MAPT P10636 1/20 0.46
ACE P12821 1/20 0.46

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
SCHEMBL7063703 0.90 CASP1 (0.55) SYKCASP1CASP3CASP7CASP6
SCHEMBL31107837 0.90 SYK (0.55) SYKKLK5CASP3PPARAKLK7
SCHEMBL3048645 0.90 SYK (0.55) SYKKLK5CASP3PPARAKLK7
SCHEMBL31107900 0.88 SYK (0.54) SYKKLK5PPARAKLK7CTSS
SCHEMBL12214464 0.87 KLK5 (0.57) SYKKLK5PPARACTSSCTSL
SCHEMBL12873000 0.87 KLK5 (0.57) SYKKLK5PPARACTSSCTSL
SCHEMBL6388701 0.87 KLK5 (0.57) SYKKLK5PPARACTSSCTSL
SCHEMBL25129695 0.87 KLK5 (0.53) SYKKLK5PPARAKLK7CTSS
SCHEMBL25129696 0.87 KLK5 (0.53) SYKKLK5PPARAKLK7CTSS
SCHEMBL28585491 0.86 CTSS (0.55) SYKKLK5PPARACTSSCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024215748-A2 CYTOTOXIC EPOXYKETONE COMPOUNDS, PRECURSORS, COMPOSITIONS, AND METHODS OF USE MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2024-10-17 WO disclosed
US-7678765-B2 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A. (ES) 2010-03-16 US disclosed
US-7348310-B2 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A. (ES) 2008-03-25 US disclosed
US-20080009435-A1 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A., A SPAIN CORPORATION 2008-01-10 US disclosed
WO-2007040289-A1 DEFORMYLASE INHIBITOR, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION COMPRISING THE SAME PROMEDITECH INC. (KR) 2007-04-12 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-20080009435-A1 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them MCL1, APLNR, PAICS SYK 4529/4885KLK5 1078/4885CASP1 1937/4885

“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.