Alanine

Alanine

SCHEMBL5485711

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O.C[C@H](N)C(=O)O

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.58
CTSK P43235 4/20 0.58
CTSS P25774 3/20 0.58
CTSB P07858 3/20 0.58
ECE1 P42892 2/20 0.57
MME P08473 1/20 0.57
CA2 P00918 1/20 0.55
CA5A P35218 1/20 0.55
ATM Q13315 1/20 0.53
ELANE P08246 2/20 0.53
PRTN3 P24158 1/20 0.53
CA1 P00915 1/20 0.53
CASP3 P42574 3/20 0.52
CASP1 P29466 2/20 0.52
CASP7 P55210 2/20 0.52
CASP6 P55212 2/20 0.52
CASP8 Q14790 2/20 0.52
CASP9 P55211 1/20 0.52

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
Isopropylamine SCHEMBL10558459 0.96 CTSL (0.59) CTSLCTSKCTSSCTSBECE1
SCHEMBL8671882 0.94 CTSL (0.63) CTSLCTSKCTSSCTSBECE1
SCHEMBL2978398 0.94 CTSL (0.63) CTSLCTSKCTSSCTSBECE1
SCHEMBL220569 0.94 CTSL (0.63) CTSLCTSKCTSSCTSBECE1
SCHEMBL1287168 0.94 CTSL (0.63) CTSLCTSKCTSSCTSBECE1
Valine SCHEMBL5917142 0.92 CTSL (0.56) CTSLCTSKCTSSCTSBECE1
Glycine SCHEMBL8365362 0.90 CTSL (0.57) CTSLCTSKCTSSCTSBECE1
SCHEMBL6272667 0.89 ECE1 (0.64) CTSLCTSKCTSSCTSBECE1
SCHEMBL7378851 0.89 ECE1 (0.64) CTSLCTSKCTSSCTSBECE1
SCHEMBL20869899 0.89 CTSL (0.57) CTSLCTSKCTSSCTSBECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7270801-B2 Fluorogenic or fluorescent reporter molecules and their applications for whole-cell fluorescence screening assays for caspases and other enzymes and the use thereof CYTOVIA, INC. (US) 2007-09-18 US disclosed
EP-1026988-A4 NOVEL FLUORESCENT REPORTER MOLECULES AND THEIR APPLICATIONS INCLUDING ASSAYS FOR CASPASES CYTOVIA INC (US) 2005-03-30 EP disclosed
US-20040191844-A1 Novel fluorogenic or fluorescent reporter molecules and their applications for whole-cell fluorescence screening assays for caspases and other enzymes and the use thereof CYTOVIA, INC. (US) 2004-09-30 US disclosed
US-6759207-B2 REPORTER COMPOUND FOR USE IN THE DIAGNOSIS, DETECTION AND TREATMENT OF CANCER CYTOVIA, INC. 2004-07-06 US disclosed
US-20040009923-A1 Peptide analogs as irreversible interleukin-1beta protease inhibitors DOLLE ROLAND E (US) 2004-01-15 US disclosed
US-6576614-B1 Administering methyl ketones or closed hemiketal derivatives of aspartic acid VERTEX PHARMACEUTICALS INCORPORATED 2003-06-10 US disclosed
US-20020150885-A1 Novel fluorogenic or fluorescent reporter molecules and their applications for whole-cell fluorescence screening assays for caspases and other enzymes and the use thereof CYTOVIA, INC. 2002-10-17 US disclosed
US-6342611-B1 BLOCKED RHODAMINE DERIVATIVES CYTOVIA, INC. 2002-01-29 US disclosed
US-6335429-B1 COMPOUND INCLUDING SUBSTRATE FOR ENZYME AND RHODAMINE DYE; DRUG SCREENING FOR ANTICARCINOGENIC AGENTS CYTOVIA, INC. 2002-01-01 US disclosed
EP-0623592-B1 Peptide analogs as irreversible interleukin-1beta protease inhibitors VERTEX PHARMA (US) 2001-06-27 EP disclosed
EP-1026988-A1 NOVEL FLUORESCENT REPORTER MOLECULES AND THEIR APPLICATIONS INCLUDING ASSAYS FOR CASPASES Cytovia, Inc. (US) 2000-08-16 EP disclosed
US-5985838-A TREATING INFECTIOUS DISEASE, RESPIRATORY DISEASE, INFLAMMATORY CONDITIONS, IMMUNE-BASED DISEASE, AUTO-IMMUNE DISEASE, BONE DISEASE, AND TUMORS VERTEX PHARMACEUTICALS, INC. (US) 1999-11-16 US disclosed
WO-1999018856-A1 NOVEL FLUORESCENT REPORTER MOLECULES AND THEIR APPLICATIONS INCLUDING ASSAYS FOR CASPASES CYTOVIA, INC. (US) 1999-04-22 WO disclosed
EP-0623592-A1 Peptide analogs as irreversible interleukin-1beta protease inhibitors STERLING WINTHROP INC. (US) 1994-11-09 EP 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 (1 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-20040009923-A1 Peptide analogs as irreversible interleukin-1beta protease inhibitors IL1B, IL1A, IL1RN CTSL 25/4885CTSK 126/4885CTSS 150/4885

“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.