Alanine

Alanine

SCHEMBL4504083

C[C@H](N)C(=O)O.O=C(N[C@@H](Cc1ccccc1)C(=O)C(=O)CF)OCc1ccccc1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.56
CTSL P07711 5/20 0.55
CTSB P07858 4/20 0.55
CTSS P25774 2/20 0.54
CTSK P43235 2/20 0.54
ALDH1A1 P00352 1/20 0.53
ALOX15 P16050 1/20 0.53
TACR1 P25103 2/20 0.52
ITGB3 P05106 4/20 0.50
ITGA2B P08514 4/20 0.50

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
SCHEMBL3492322 0.87 TACR1 (0.61) CAPN1CTSLCTSBCTSSCTSK
SCHEMBL3491951 0.84 CTSL (0.61) CAPN1CTSLCTSBCTSSCTSK
SCHEMBL7740137 0.82 CAPN1 (0.69) CAPN1CTSLCTSBCTSSCTSK
SCHEMBL8617156 0.80 TACR1 (0.61) CAPN1CTSLCTSBCTSSCTSK
SCHEMBL3165013 0.80 CTSK (0.67) CAPN1CTSLCTSBCTSSCTSK
SCHEMBL7293242 0.79 TACR1 (0.60) CAPN1CTSLCTSBCTSSCTSK
Alanine SCHEMBL28766518 0.79 CTSK (0.56) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL7293246 0.79 TACR1 (0.60) CAPN1CTSLCTSBCTSSCTSK
SCHEMBL3044116 0.79 TACR1 (0.60) CAPN1CTSLCTSBCTSSCTSK
SCHEMBL8701970 0.79 ALDH1A1 (0.67) CAPN1CTSLCTSBCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7495023-B2 Thio semicarbazone and semicarbozone inhibitors of cysteine proteases and methods of their use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-02-24 US disclosed
US-20070197495-A1 ANTI-PARASITIC COMPOUNDS AND METHODS OF THEIR USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-08-23 US disclosed
EP-1734939-A1 ANTI-PARASITIC COMPOUNDS AND METHODS OF THEIR USE The Regents of The University of California (US) 2006-12-27 EP disclosed
WO-2005087211-A1 ANTI-PARASITIC COMPOUNDS AND METHODS OF THEIR USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-09-22 WO disclosed
US-20050182121-A1 Thio semicarbazone and semicarbozone inhibitors of cysteine proteases and methods of their use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-08-18 US disclosed
US-6897240-B2 Thio semicarbazone and semicarbazone inhibitors of cysteine proteases and methods of their use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-05-24 US disclosed
US-20040014801-A1 Thio semicarbazone and semicarbazone inhibitors of cysteine proteases and methods of their use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-01-22 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 (3 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-20040014801-A1 Thio semicarbazone and semicarbazone inhibitors of cysteine proteases and methods of their use CTSB, CTSS, CTSL CAPN1 162/4885CTSL 3/4885CTSB 1/4885
US-20050182121-A1 Thio semicarbazone and semicarbozone inhibitors of cysteine proteases and methods of their use CTSB, CTSS, CSTB CAPN1 102/4885CTSL 5/4885CTSB 1/4885
US-20070197495-A1 ANTI-PARASITIC COMPOUNDS AND METHODS OF THEIR USE CYP51A1, TUBA3C, PIGO CAPN1 1470/4885CTSL 5/4885CTSB 12/4885

“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.