SCHEMBL6523783

SCHEMBL6523783

CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 11/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ELANE P08246 2/20 0.48
NPC1 O15118 1/20 0.45
CTRC Q99895 2/20 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
SCHEMBL1882301 0.91 MEN1 (0.49) CMA1MEN1KMT2AELANENPC1
SCHEMBL8691338 0.88 ELANE (0.46) MEN1KMT2AELANE
SCHEMBL5850980 0.85 FKBP4 (0.48) CMA1MEN1KMT2ACTRC
SCHEMBL3396899 0.85 ELANE (0.48) ELANE
SCHEMBL3244930 0.84 ELANE (0.43) CMA1MEN1KMT2AELANE
SCHEMBL29888704 0.84 FKBP4 (0.44) CMA1ELANE
SCHEMBL9699194 0.83 CMA1 (0.67) CMA1ELANECTRC
SCHEMBL31031631 0.83 FKBP4 (0.44) CMA1ELANE
SCHEMBL29463298 0.83 FKBP4 (0.49) CMA1ELANE
SCHEMBL29558027 0.82 FKBP4 (0.55) CMA1ELANE

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-8283344-B2 Method of treating inherited severe neutropenia MERCK & CO., INC. (US) 2012-10-09 US disclosed
US-20110059960-A1 METHOD OF TREATING INHERITED SEVERE NEUTROPENIA MERCK SHARP & DOHME LLC 2011-03-10 US disclosed
EP-0595557-B1 New substituted azetidinones as anti-inflammatory and antidegenerative agents MERCK & CO INC (US) 2004-06-30 EP disclosed
US-5952321-A Substituted azetidinones as anti-inflammatory and antidegenerative agents MERCK & CO., INC. (US) 1999-09-14 US disclosed
US-5747485-A RESPIRATORY SYSTEM DISORDERS MERCK & CO., INC. (US) 1998-05-05 US disclosed
US-5591737-A ELASTASE INHIBITORS MERCK & CO., INC. (US) 1997-01-07 US disclosed
EP-0337549-B1 New substituted azetidinones as anti-inflammatory and antidegenerative agents MERCK & CO INC (US) 1995-10-04 EP disclosed
US-5348953-A Elastase inhibitor MERCK & CO., INC. (US) 1994-09-20 US disclosed
WO-1994010143-A1 NEW SUBSTITUTED AZETIDINONES AS ANTI-INFLAMMATORY AND ANTIDEGENERATIVE AGENTS MERCK & CO., INC. (US) 1994-05-11 WO disclosed
EP-0595557-A1 New substituted azetidinones as anti-inflammatory and antidegenerative agents MERCK & CO. INC. (US) 1994-05-04 EP disclosed
US-5229381-A Inhibitors of leukocyte enzyme elastase MERCK & CO., INC. (US) 1993-07-20 US disclosed
EP-0525973-A2 Substituted azetidinones as anti-inflammatory and antidegenerative agents MERCK & CO. INC. (US) 1993-02-03 EP disclosed
EP-0505095-A2 New substituted azetidinones as anti-inflammatory and antidegenerative agents MERCK & CO. INC. (US) 1992-09-23 EP disclosed
EP-0505097-A2 New substituted azetidinones as anti-inflammatory and antidegenerative agents MERCK & CO. INC. (US) 1992-09-23 EP disclosed
EP-0481671-A1 New substituted azetidinones as anti-inflammatory and antidegenerative agents MERCK & CO. INC. (US) 1992-04-22 EP disclosed
US-5104862-A Bethalactam elastase inhibitors containing phosphorous acid derivatives at the 4-position of the 2-azetidinone MERCK & CO., INC. (US) 1992-04-14 US disclosed
US-5100880-A Treatment of rheumatoid arthritis and emphysema, enzyme inhibitors MERCK & CO., INC. (US) 1992-03-31 US disclosed
EP-0337549-A1 New substituted azetidinones as anti-inflammatory and antidegenerative agents MERCK & CO. INC. (US) 1989-10-18 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-20110059960-A1 METHOD OF TREATING INHERITED SEVERE NEUTROPENIA SCN1B, SCNN1B, SCNN1A CMA1 1179/4885MEN1 832/4885KMT2A 1562/4885

“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.