SCHEMBL12370592

SCHEMBL12370592

CCCCOc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)SCC(=O)Nc2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.64
BCL2 P10415 9/20 0.47
MCL1 Q07820 1/20 0.47
HDAC8 Q9BY41 1/20 0.46
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL12370557 0.89 CTSL (0.81) CTSLBCL2HDAC8ITGB3ITGA2B
SCHEMBL12371616 0.88 CTSL (0.57) CTSLBCL2CYP1A2CYP2C19CTSS
SCHEMBL13620289 0.81 CTSL (0.59) CTSLBCL2HDAC8ITGB3ITGA2B
SCHEMBL12372028 0.79 CTSL (0.55) CTSLBCL2HDAC8ITGB3ITGA2B
SCHEMBL12371564 0.76 CTSL (0.73) CTSLL3MBTL1CTSSCTSK
SCHEMBL12370596 0.76 CTSL (0.73) CTSLL3MBTL1CTSSCTSK
SCHEMBL12371562 0.75 CTSL (0.50) CTSLBCL2HDAC8ITGB3ITGA2B
SCHEMBL12372026 0.75 CTSL (0.60) CTSLBCL2HDAC8ITGB3ITGA2B
SCHEMBL12371614 0.74 CTSL (0.67) CTSLBCL2ITGB3ITGA2BCTSK
SCHEMBL12371565 0.73 CTSL (0.50) CTSLBCL2HDAC8ITGB3ITGA2B

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-20110207726-A1 Inhibitors of Human Cathepsin L, Cathepsin B, and Cathepsin S THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2011-08-25 US disclosed
WO-2009136997-A2 INHIBITORS OF HUMAN CATHEPSIN L, CATHEPSIN B, AND CATHEPSIN S THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2009-11-12 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-20110207726-A1 Inhibitors of Human Cathepsin L, Cathepsin B, and Cathepsin S CTSB, CTSS, CTSV CTSL 7/4885BCL2 584/4885MCL1 1124/4885

“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.