SCHEMBL5689533

SCHEMBL5689533

CC(C)[C@H](N)C(=O)N[C@H](C=O)Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSB P07858 6/20 0.63
CAPN1 P07384 3/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CTRB1 P17538 1/20 0.48
CTSL P07711 2/20 0.47
CTSH P09668 1/20 0.47
CTSK P43235 1/20 0.47

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
SCHEMBL7291267 0.87 CTSB (0.49) CTSBNPC1RAB9ACTRB1
SCHEMBL29910660 0.87 CTSB (0.52) CTSB
Hydrochloric Acid SCHEMBL8878738 0.86 CTSB (0.48) CTSBNPC1RAB9ACTRB1
SCHEMBL24444411 0.84 CTSB (0.64) CTSBCAPN1NPC1RAB9ACTSL
SCHEMBL20204691 0.84 CTSC (0.58) CTSBCAPN1CTSL
SCHEMBL20204693 0.84 CTSC (0.58) CTSBCAPN1CTSL
SCHEMBL8260887 0.83 CTSB (0.65) CTSBCAPN1CTSK
SCHEMBL3487670 0.83 CTSB (0.65) CTSBCAPN1CTSK
SCHEMBL7361627 0.83 CTSB (0.52) CTSBCAPN1CTSLCTSHCTSK
SCHEMBL16566017 0.82 CTSB (0.55) CTSBCAPN1CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638579-A2 COMPOSITIONS AND METHODS FOR USE OF A PROTEASE INHIBITOR AND ADENOSINE FOR PREVENTING ORGAN ISCHEMIA AND REPERFUSION INJURY EMORY UNIVERSITY (US) 2006-03-29 EP claimed
WO-2005003150-A2 COMPOSITIONS AND METHODS FOR USE OF A PROTEASE INHIBITOR AND ADENOSINE FOR PREVENTING ORGAN ISCHEMIA AND REPERFUSION INJURY EMORY UNIVERSITY (US) 2005-01-13 WO claimed
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 8/4885CAPN1 81/4885NPC1 1337/4885
US-20200048227-A1 COMPOSITIONS AND METHODS FOR MODULATING PROTEASE ACTIVITY RNASE1, ADAM8, CTRL CTSB 8/4885CAPN1 81/4885NPC1 1337/4885

“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.