SCHEMBL20204722

SCHEMBL20204722

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

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSB P07858 6/20 0.62
CAPN1 P07384 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CTSL P07711 2/20 0.46
CTSH P09668 1/20 0.46
CTSK P43235 1/20 0.46

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
SCHEMBL7361635 0.89 CTSB (0.59) CTSBCAPN1SMN1; SMN2
SCHEMBL12475011 0.89 CTSB (0.59) CTSBCAPN1
SCHEMBL23234581 0.88 CTSB (0.58) CTSBCAPN1SMN1; SMN2CTSLCTSK
SCHEMBL622495 0.88 CTSB (0.58) CTSBCAPN1SMN1; SMN2CTSLCTSH
SCHEMBL23234613 0.87 CTSB (0.57) CTSBCAPN1SMN1; SMN2CTSLCTSH
SCHEMBL12473602 0.86 CTSB (0.50) CTSB
SCHEMBL623362 0.86 CTSB (0.58) CTSBCAPN1SMN1; SMN2
SCHEMBL23926088 0.85 CTSB (0.71) CTSBCTSLCTSK
SCHEMBL5133312 0.85 CTSB (0.71) CTSBCTSLCTSK
SCHEMBL23234647 0.85 CTSB (0.58) CTSBCAPN1SMN1; SMN2CTSLCTSH

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 8/4885CAPN1 81/4885SMN1; SMN2 3355/4885
US-20200048227-A1 COMPOSITIONS AND METHODS FOR MODULATING PROTEASE ACTIVITY RNASE1, ADAM8, CTRL CTSB 8/4885CAPN1 81/4885SMN1; SMN2 3355/4885

“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.