SCHEMBL4291672

SCHEMBL4291672

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

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSG P08311 3/20 0.65
CMA1 P23946 3/20 0.65
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.51
NCOA1 Q15788 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
MME P08473 1/20 0.47
ACE P12821 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
NAALAD2 Q9Y3Q0 1/20 0.45
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.44
ANPEP P15144 1/20 0.44

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
SCHEMBL5664274 1.00 CTSG (0.65) CTSGCMA1ALDH1A1HTTNCOA1
SCHEMBL6942656 1.00 CTSG (0.65) CTSGCMA1ALDH1A1HTTNCOA1
SCHEMBL14363442 0.87 CTSG (0.62) CTSGCMA1ALDH1A1HTTNCOA1
SCHEMBL14865867 0.87 CTSG (0.62) CTSGCMA1ALDH1A1HTTNCOA1
SCHEMBL13536304 0.87 CTSG (0.62) CTSGCMA1ALDH1A1HTTNCOA1
SCHEMBL7148922 0.85 ACE (0.64) CTSGCMA1L3MBTL1ACE
SCHEMBL6496041 0.85 ACE (0.64) CTSGCMA1L3MBTL1ACE
SCHEMBL7499927 0.84 CTSG (0.59) CTSGCMA1ALDH1A1HTTNCOA1
SCHEMBL4976559 0.84 CTSG (0.59) CTSGCMA1ALDH1A1HTTNCOA1
SCHEMBL7486728 0.84 CTSG (0.59) CTSGCMA1ALDH1A1HTTNCOA1

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0827943-B1 PROCESSES FOR THE REDUCTION OF CARBONYL COMPOUNDS KANEKA CORP (JP) 2003-05-21 EP claimed
US-6150567-A REACTING CARBONYL COMPOUND WITH ORGANOALUMINUM COMPOUND TO FORM AN ALCOHOL COMPOUND KANEKA CORPORATION (JP) 2000-11-21 US claimed
EP-0963972-A2 Stereoselective reduction of carbonyl compounds F. HOFFMANN-LA ROCHE AG (CH) 1999-12-15 EP claimed
EP-0827943-A1 PROCESSES FOR THE REDUCTION OF CARBONYL COMPOUNDS KANEKA CORPORATION (JP) 1998-03-11 EP claimed
EP-2807145-B1 A METHOD FOR THE PREPARATION OF DIAZOALKANES BAKHU LTD (GB) 2017-03-22 EP disclosed
US-9593073-B2 Method for the preparation of diazoalkanes BAKHU LIMITED (GB) 2017-03-14 US disclosed
US-20150038687-A1 METHOD FOR THE PREPARATION OF DIAZOALKANES BAKHU LIMITED (GB) 2015-02-05 US disclosed
EP-1309714-B1 STEREOSELECTIVE REDUCTION OF SUBSTITUTED OXO-BUTANES BRISTOL MYERS SQUIBB CO (US) 2009-05-13 EP disclosed
EP-0827943-B1 PROCESSES FOR THE REDUCTION OF CARBONYL COMPOUNDS KANEKA CORP (JP) 2003-05-21 EP disclosed
US-6150567-A REACTING CARBONYL COMPOUND WITH ORGANOALUMINUM COMPOUND TO FORM AN ALCOHOL COMPOUND KANEKA CORPORATION (JP) 2000-11-21 US disclosed
US-H1893-H REACTING A HALOKETONE COMPOUND OR SALT WITH AN OXIDOREDUCTASE ENZYME SUPPLYING MICROORGANISM OR OXIDOREDUCTASE ENZYME CONTAINING MATERIAL OBTAINED FROM THE MICROORGANISM, CATALYZES THE REDUCTION OF HALOKETONE TO FORM HALOHYDROXIDES BRISTOL-MYERS SQUIBB COMPANY (US) 2000-10-03 US disclosed
EP-0963972-A2 Stereoselective reduction of carbonyl compounds F. HOFFMANN-LA ROCHE AG (CH) 1999-12-15 EP disclosed
EP-0154904-A1 Acylamino oxo or hydroxy substituted alkylamino thiazines and thiazepines E.R. Squibb & Sons, Inc. (US) 1985-09-18 EP disclosed
US-4535176-A HYPOTENSIVE AGENTS, ANALGESICS, ANGIOTENSIN CONVERTING ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1985-08-13 US disclosed
EP-0142335-A2 Lactam containing compounds E.R. Squibb & Sons, Inc. (US) 1985-05-22 EP disclosed
US-4514391-A HYPOTENSIVE AGENTS; ANALGESICS E. R. SQUIBB & SONS, INC. (US) 1985-04-30 US disclosed
US-4512988-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1985-04-23 US disclosed
EP-0132304-A2 Hydroxy substituted peptide compounds E.R. Squibb & Sons, Inc. (US) 1985-01-30 EP disclosed
US-4474778-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1984-10-02 US disclosed
US-4470973-A HYPOTENSIVE AGENTS, ANALGESICS E. R. SQUIBB & SONS, INC. (US) 1984-09-11 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 (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-20150038687-A1 METHOD FOR THE PREPARATION OF DIAZOALKANES NIT2, DNTT, NAT1 CTSG 3762/4885CMA1 1708/4885ALDH1A1 500/4885

“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.