SCHEMBL10175007

SCHEMBL10175007

CC(C)[C@H](NC(=O)C(NC(=O)CNC(=O)OCc1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.55
CTSS P25774 2/20 0.55
ECE1 P42892 2/20 0.51
CYP3A4 P08684 2/20 0.51
MME P08473 1/20 0.51
CASP3 P42574 4/20 0.51
CASP7 P55210 4/20 0.51
CASP1 P29466 2/20 0.51
CASP4 P49662 2/20 0.51
CASP9 P55211 2/20 0.50
CASP10 Q92851 2/20 0.50
ATM Q13315 1/20 0.50
CASP8 Q14790 1/20 0.50
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.46
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL30134450 0.89 ECE1 (0.54) CTSLCTSSECE1CYP3A4MME
SCHEMBL919245 0.89 MAPK1 (0.53) CTSLCTSSECE1CYP3A4MME
SCHEMBL4582904 0.89 MAPK1 (0.53) CTSLCTSSECE1CYP3A4MME
SCHEMBL4582911 0.89 MAPK1 (0.53) CTSLCTSSECE1CYP3A4MME
SCHEMBL9829175 0.88 ECE1 (0.53) CTSLCTSSECE1CYP3A4MME
SCHEMBL9829163 0.88 ECE1 (0.53) CTSLCTSSECE1CYP3A4MME
SCHEMBL9556695 0.86 MAPK1 (0.51) CTSLCTSSECE1CYP3A4MME
SCHEMBL28176769 0.85 ATM (0.60) CTSLCTSSCYP3A4ATMTSHR
SCHEMBL25495058 0.83 ATM (0.57) CTSLCTSSCYP3A4ATMTSHR
SCHEMBL28355584 0.83 CYP3A4 (0.57) CTSLCTSSCYP3A4ATMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120107902-A1 Processes For Forming Amide Bonds And Compositions Related Thereto EMORY UNIVERSITY (US) 2012-05-03 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-20120107902-A1 Processes For Forming Amide Bonds And Compositions Related Thereto TMT1A, LPO, GSTO1 CTSL 2981/4885CTSS 2126/4885ECE1 2827/4885

“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.