SCHEMBL7761698

SCHEMBL7761698

CC(C)(C)C(=O)NOC(=O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
ELANE P08246 2/20 0.32
DGAT1 O75907 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CYP1A2 P05177 1/20 0.30
PKM P14618 1/20 0.30
PTK2B Q14289 1/20 0.30

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
SCHEMBL17787029 0.81 ELANE (0.33) ELANEDGAT1
SCHEMBL9294567 0.79 ELANE (0.32) ELANEDGAT1CA2CA9CYP1A2
SCHEMBL28183441 0.79 ALDH1A1 (0.38) L3MBTL1CA12CA1CA2CA7
SCHEMBL9707265 0.79 ELANE (0.32) ELANEDGAT1CA2
SCHEMBL10443000 0.76
SCHEMBL9707335 0.75 TDP1 (0.33) L3MBTL1
SCHEMBL30027475 0.75 ELANE (0.36) ELANEDGAT1
SCHEMBL1949138 0.73 DGAT1 (0.41) DGAT1CA12CA1CA2CA7
SCHEMBL8255036 0.72
SCHEMBL28049369 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102753519-B Diacylated hydroxylamine derivatives THE JOHNS HOPKINS UNIVERSITY (US) 2015-08-05 CN claimed
CN-105130855-B Succinylated hydroxy amine derivatives and application thereof 约翰斯霍普金斯大学 2018-05-25 CN disclosed
CN-105130855-A Bis-Acylated Hydroxylamine Derivatives UNIV JOHNS HOPKINS 2015-12-09 CN disclosed
CN-102753519-B Diacylated hydroxylamine derivatives THE JOHNS HOPKINS UNIVERSITY (US) 2015-08-05 CN disclosed
US-8912342-B2 Pyrazole synthesis by coupling of carboxylic acid derivatives and enamines Westfälische Wilhelms Universität Münster (DE) 2014-12-16 US disclosed
EP-2657228-A1 Pyrazole synthesis by the coupling of carboxylic acid derivatives and enamines Westfälische Wilhelms-Universität Münster (DE) 2013-10-30 EP disclosed
US-20130204011-A1 PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES WESTFAELISCHE WILHELMS UNIVERSITAET MUENSTER (DE) 2013-08-08 US disclosed
EP-1100510-A2 COMBINED PREPARATION OF ANTI-INFECTIOUSLY ACTIVE COMPOUNDS WHICH INHIBIT THE 2-C-METHYLERYTHROSE-4 METABOLIC PATHWAY, AND INHIBITORS OF LIPID METABOLISM Jomaa, Hassan (DE) 2001-05-23 EP disclosed
WO-1999066875-A2 COMBINED PREPARATION OF ANTI-INFECTIOUSLY ACTIVE COMPOUNDS WHICH INHIBIT THE 2-C-METHYLERYTHROSE-4 METABOLIC PATHWAY, AND INHIBITORS OF LIPID METABOLISM JOMAA HASSAN (DE) 1999-12-29 WO 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-20130204011-A1 PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES PPOX, PDK2, PNPO L3MBTL1 4685/4885ELANE 859/4885DGAT1 3922/4885

“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.