SCHEMBL6496041

SCHEMBL6496041

O=C(N[C@@H](Cc1ccccc1)C(=O)CCl)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.64
CTSG P08311 1/20 0.60
CMA1 P23946 1/20 0.60
CTSL P07711 4/20 0.58
CTSS P25774 1/20 0.58
CTSK P43235 1/20 0.58
PTPN1 P18031 1/20 0.56
CTRB1 P17538 5/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
CA2 P00918 2/20 0.53
CA1 P00915 1/20 0.53

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
SCHEMBL7148922 1.00 ACE (0.64) ACECTSGCMA1CTSLCTSS
SCHEMBL9581939 0.86 ACE (0.66) ACECTSLCTSSCTSKPTPN1
SCHEMBL9581928 0.86 ACE (0.66) ACECTSLCTSSCTSKPTPN1
SCHEMBL5664274 0.85 CTSG (0.65) ACECTSGCMA1L3MBTL1
SCHEMBL4291672 0.85 CTSG (0.65) ACECTSGCMA1L3MBTL1
SCHEMBL6942656 0.85 CTSG (0.65) ACECTSGCMA1L3MBTL1
SCHEMBL528464 0.83 ACE (0.76) ACECTSLCTSSCTSKPTPN1
SCHEMBL111236 0.83 ACE (0.76) ACECTSLCTSSCTSKPTPN1
SCHEMBL111235 0.83 ACE (0.76) ACECTSLCTSSCTSKPTPN1
SCHEMBL11125543 0.83 ACE (0.75) ACECTSLCTSSCTSKPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6888012-B2 Reducing an alpha -haloketone compound by asymmetric hydrogen transfer in presence of a group 9 transition metal compound having a substituted or unsubstituted cyclopentadienyl group and an optically active diamine compound AJINOMOTO CO., INC. (JP) 2005-05-03 US disclosed
US-20040082820-A1 Hydrogen transfer reduction; useful as intermediate for production of pharmaceuticals/agricultural chemicals AJINOMOTO CO., INC. (JP) 2004-04-29 US disclosed
EP-1346972-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE HALOHYDRIN COMPOUND Ajinomoto Co., Inc. (JP) 2003-09-24 EP disclosed
US-5187290-A Hypotensive agents, analgesics E. R. SQUIBB & SONS, INC. (US) 1993-02-16 US disclosed
US-4736066-A Intermediate for substituted peptide compounds E. R. SQUIBB & SONS, INC. (US) 1988-04-05 US disclosed
EP-0154904-B1 ACYLAMINO OXO OR HYDROXY SUBSTITUTED ALKYLAMINO THIAZINES AND THIAZEPINES E.R. Squibb & Sons, Inc. (US) 1987-10-28 EP disclosed
US-4692455-A HYPOTENSIVE AGENTS, ANALGESICS E. R. SQUIBB & SONS, INC. (US) 1987-09-08 US disclosed
US-4636522-A HYPOTENSIVE, ENZYME INHIBITORS, ANALGESICS E. R. SQUIBB & SONS, INC. (US) 1987-01-13 US disclosed
US-4604402-A HYPOTENSIVE AGNETS E. R. SQUIBB & SONS, INC. (US) 1986-08-05 US disclosed
EP-0159156-A1 Hydroxy substituted ureido amino and imino acids E.R. Squibb & Sons, Inc. (US) 1985-10-23 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-20040082820-A1 Hydrogen transfer reduction; useful as intermediate for production of pharmaceuticals/agricultural chemicals DHPS, HDHD5, HYPK ACE 1143/4885CTSG 2351/4885CMA1 759/4885

“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.