SCHEMBL12372035

SCHEMBL12372035

CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)OCC(=O)N1CCCc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 8/20 1.00
CTSS P25774 1/20 0.53
CTSK P43235 1/20 0.53
TACR1 P25103 2/20 0.52
MAPT P10636 2/20 0.51
TP53 P04637 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
CCKAR P32238 2/20 0.49

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
SCHEMBL12371600 1.00 CTSL (1.00) CTSLCTSSCTSKTACR1MAPT
SCHEMBL15232206 0.86 CTSL (0.76) CTSLCTSSCTSKTACR1MAPT
SCHEMBL12371606 0.85 CTSL (0.74) CTSLCTSSCTSK
SCHEMBL12370569 0.85 CTSL (0.74) CTSLCTSSCTSKTACR1MAPT
SCHEMBL4214126 0.78 CTSL (0.69) CTSLCTSSCTSKTACR1MAPT
SCHEMBL9542635 0.78 CTSL (0.64) CTSLCTSSCTSK
SCHEMBL9544088 0.78 CTSL (0.64) CTSLCTSSCTSKMAPTTP53
SCHEMBL12371552 0.77 CTSL (0.65) CTSLCTSSCTSKTACR1MAPT
SCHEMBL9543335 0.77 CTSL (0.63) CTSLCTSSCTSKMAPTTP53
SCHEMBL9543677 0.77 CTSL (0.63) CTSLCTSSCTSKMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873668-B2 Compositions and methods for inhibition of cathepsins MATEON THERAPEUTICS, INC. (US) 2018-01-23 US disclosed
US-20160368869-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF CATHEPSINS BAYLOR UNIVERSITY 2016-12-22 US disclosed
US-9458103-B2 Compositions and methods for inhibition of cathepsins MATEON THERAPEUTICS, INC. (US) 2016-10-04 US disclosed
US-20150031915-A1 Compositions and Methods for Inhibition of Cathepsins MATEON THERAPEUTICS, INC. 2015-01-29 US disclosed
US-8877967-B2 Compositions and methods for inhibition of cathepsins OXIGENE, INC. (US) 2014-11-04 US disclosed
US-20130296605-A1 Compositions and Methods for Inhibition of Cathepsins MATEON THERAPEUTICS, INC. 2013-11-07 US disclosed
WO-2013142038-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF CATHEPSINS OXIGENE, INC. (US) 2013-09-26 WO disclosed
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 (4 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 7/4885CTSS 2/4885CTSK 11/4885
US-20150031915-A1 Compositions and Methods for Inhibition of Cathepsins CTSF, CTSS, CTSZ CTSL 9/4885CTSS 2/4885CTSK 4/4885
US-20130296605-A1 Compositions and Methods for Inhibition of Cathepsins CTSF, CTSS, CTSZ CTSL 9/4885CTSS 2/4885CTSK 4/4885
US-20160368869-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF CATHEPSINS CTSF, CTSS, CTSZ CTSL 9/4885CTSS 2/4885CTSK 4/4885

“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.