SCHEMBL14728306

SCHEMBL14728306

CC(C)C(NC(=O)OCc1ccccc1)C(=O)C(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.58
CTSS P25774 3/20 0.58
CTSB P07858 3/20 0.58
CTSK P43235 2/20 0.58
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
KMT2A Q03164 1/20 0.54
ATM Q13315 1/20 0.53
ELANE P08246 3/20 0.53
PRTN3 P24158 1/20 0.53
CASP3 P42574 3/20 0.52
ECE1 P42892 2/20 0.52
CASP1 P29466 2/20 0.52
CASP7 P55210 2/20 0.52
CASP6 P55212 2/20 0.52
CASP8 Q14790 2/20 0.52
CA2 P00918 1/20 0.52
CA5A P35218 1/20 0.52
MME P08473 1/20 0.52
CASP9 P55211 1/20 0.52

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
SCHEMBL19523359 0.90 CTSL (0.64) CTSLCTSSCTSBCTSKMEN1
SCHEMBL8199206 0.88 ELANE (0.61) CTSLCTSSCTSBCTSKATM
SCHEMBL2978398 0.85 CTSL (0.63) CTSLCTSSCTSBCTSKMEN1
SCHEMBL1287168 0.85 CTSL (0.63) CTSLCTSSCTSBCTSKMEN1
SCHEMBL8671882 0.85 CTSL (0.63) CTSLCTSSCTSBCTSKMEN1
SCHEMBL220569 0.85 CTSL (0.63) CTSLCTSSCTSBCTSKMEN1
SCHEMBL20885259 0.85 SYK (0.59) CTSLCTSSCTSBCTSKATM
SCHEMBL11657615 0.85 SYK (0.59) CTSLCTSSCTSBCTSKATM
SCHEMBL1642698 0.85 CTSL (0.52) CTSLCTSSCTSBCTSKMEN1
SCHEMBL12401100 0.85 CYP3A4 (0.52) CTSLCTSSCTSBCTSKMEN1

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-20130053325-A1 Secondary Structure Stabilized NMDA Receptor Modulators and Uses Thereof INNOVIVA TRC HOLDINGS LLC 2013-02-28 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 (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-20130053325-A1 Secondary Structure Stabilized NMDA Receptor Modulators and Uses Thereof GRIN2A, GRIN1, GRIN3A CTSL 4593/4885CTSS 4529/4885CTSB 4297/4885

“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.