SCHEMBL20204825

SCHEMBL20204825

CC(C)C(NC(=O)OC(C)(C)C)C(=O)NC(C=O)Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSB P07858 3/20 0.57
ATM Q13315 2/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
KLK5 Q9Y337 1/20 0.52
CTSS P25774 3/20 0.51
CTSK P43235 2/20 0.51
CTSL P07711 1/20 0.51
APP P05067 1/20 0.50
BACE1 P56817 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
SCHEMBL9017588 1.00 CTSB (0.57) CTSBATMMEN1KMT2AKLK5
SCHEMBL9078755 1.00 CTSB (0.57) CTSBATMMEN1KMT2AKLK5
SCHEMBL8539393 0.90 KLK5 (0.52) CTSBATMMEN1KMT2AKLK5
SCHEMBL7289822 0.90 ATM (0.52) CTSBATMMEN1KMT2AKLK5
SCHEMBL390555 0.88 ATM (0.62) CTSBATMCTSSCTSKCTSL
SCHEMBL7094 0.88 ATM (0.62) CTSBATMCTSSCTSKCTSL
SCHEMBL1094506 0.88 ATM (0.62) CTSBATMCTSSCTSKCTSL
SCHEMBL20204700 0.86 CTSS (0.65) CTSBATMCTSSCTSKCTSL
SCHEMBL28269148 0.86 CTSS (0.65) CTSBATMCTSSCTSKCTSL
SCHEMBL22962275 0.86 CTSS (0.65) CTSBATMCTSSCTSKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11124498-B2 Compositions and methods for modulating protease activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-09-21 US disclosed
US-20200048227-A1 COMPOSITIONS AND METHODS FOR MODULATING PROTEASE ACTIVITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-02-13 US disclosed
WO-2018097999-A1 COMPOSITIONS AND METHODS FOR MODULATING PROTEASE ACTIVITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-31 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 (2 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-11124498-B2 Compositions and methods for modulating protease activity RNASE1, ADAM8, CTRL CTSB 8/4885ATM 1991/4885MEN1 3690/4885
US-20200048227-A1 COMPOSITIONS AND METHODS FOR MODULATING PROTEASE ACTIVITY RNASE1, ADAM8, CTRL CTSB 8/4885ATM 1991/4885MEN1 3690/4885

“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.