SCHEMBL12370596

SCHEMBL12370596

CCCCOC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)SCC(=O)Nc1ccccc1CC

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 7/20 0.73
ALDH1A1 P00352 4/20 0.46
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
CTSS P25774 1/20 0.41
PPARA Q07869 2/20 0.39
PPARG P37231 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CTSK P43235 3/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
GLA P06280 1/20 0.37
KLK7 P49862 1/20 0.36
KLK5 Q9Y337 1/20 0.36

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
SCHEMBL12371564 1.00 CTSL (0.73) CTSLALDH1A1TSHRSMN1; SMN2CTSS
SCHEMBL12371616 0.88 CTSL (0.57) CTSLALDH1A1SMN1; SMN2CTSSPPARA
SCHEMBL12372033 0.87 CTSL (0.60) CTSLALDH1A1TSHRSMN1; SMN2CTSS
SCHEMBL12371618 0.87 CTSL (0.60) CTSLALDH1A1TSHRSMN1; SMN2CTSS
SCHEMBL12370557 0.87 CTSL (0.81) CTSLALDH1A1TSHRSMN1; SMN2CTSS
SCHEMBL12371605 0.85 CTSL (0.79) CTSLALDH1A1TSHRSMN1; SMN2CTSS
SCHEMBL12371560 0.84 CTSL (0.80) CTSLALDH1A1TSHRSMN1; SMN2CTSS
SCHEMBL12372027 0.84 CTSL (0.64) CTSLALDH1A1TSHRSMN1; SMN2CTSK
SCHEMBL13619474 0.83 CTSL (0.76) CTSLALDH1A1TSHRSMN1; SMN2CTSS
SCHEMBL12371441 0.83 CTSL (0.75) CTSLALDH1A1TSHRSMN1; SMN2POLB

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-20110207726-A1 Inhibitors of Human Cathepsin L, Cathepsin B, and Cathepsin S THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2011-08-25 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-20110207726-A1 Inhibitors of Human Cathepsin L, Cathepsin B, and Cathepsin S CTSB, CTSS, CTSV CTSL 7/4885ALDH1A1 4065/4885TSHR 3396/4885

“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.