SCHEMBL3576946

SCHEMBL3576946

COC(=O)C(C)(C)C(=O)CBr

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.48
ELANE P08246 1/20 0.36
TRPA1 O75762 2/20 0.33
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
KCNN4 O15554 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
SCHEMBL5217213 0.82 DGAT1 (0.45) DGAT1ELANETSHR
SCHEMBL180091 0.79 TRPA1 (0.44) TRPA1ALDH1A1TSHR
SCHEMBL4463173 0.78 DGAT1 (0.50) DGAT1ELANEALDH1A1TSHRKCNN4
SCHEMBL3844760 0.77 ALDH1A1 (0.48) TRPA1ALDH1A1TSHR
SCHEMBL2313446 0.76 DGAT1 (0.48) DGAT1ELANETSHRKCNN4
SCHEMBL808799 0.76 DGAT1 (0.74) DGAT1ELANEALDH1A1TSHRKCNN4
SCHEMBL4463447 0.74 DGAT1 (0.46) DGAT1ELANEALDH1A1TSHR
SCHEMBL23091415 0.73 DGAT1 (0.70) DGAT1ELANEALDH1A1TSHRKCNN4
Ammonia Solution, Strong SCHEMBL7639328 0.73 DGAT1 (0.70) DGAT1ELANEALDH1A1TSHRKCNN4
Iodide SCHEMBL10533676 0.73 DGAT1 (0.70) DGAT1ELANEALDH1A1TSHRKCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022161448-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2022-08-04 WO disclosed
US-20220089592-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS BIOGEN MA INC. 2022-03-24 US disclosed
EP-3911652-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS Biogen MA Inc. (US) 2021-11-24 EP disclosed
WO-2020150626-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS BIOGEN MA INC. (US) 2020-07-23 WO disclosed
US-9000022-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2015-04-07 US disclosed
US-9000022-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2015-04-07 US disclosed
US-9000022-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2015-04-07 US disclosed
EP-1910308-B1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS PATENT CO LLC (US) 2014-09-03 EP disclosed
EP-1910308-B1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS PATENT CO LLC (US) 2014-09-03 EP disclosed
US-20140038964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS PATENT COMPANY LLC (US) 2014-02-06 US disclosed
US-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2010-03-25 US disclosed
CN-101248049-A Imidazole based LXR modulators EXELIXIS INC (US) 2008-08-20 CN disclosed
EP-1910308-A1 IMIDAZOLE BASED LXR MODULATORS Exelixis, Inc. (US) 2008-04-16 EP disclosed
WO-2007002563-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 WO disclosed
WO-2007002563-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 WO disclosed
EP-1220857-B1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS AND THEIR RELATED METHODS OF USE NEUROCRINE BIOSCIENCES INC (US) 2005-09-21 EP disclosed
US-20030216411-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. 2003-11-20 US disclosed
US-6537998-B1 Treatment of a variety of sex-hormone related conditions in both men and women. The compounds of this invention have the stereoisomers, prodrugs and pharmaceutical acceptable salts thereof. Also disclosed are compositions containing a compound NEUROCRINE BIOSCIENCES, INC. 2003-03-25 US disclosed
EP-1220857-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO Neurocrine Biosciences, Inc. (US) 2002-07-10 EP disclosed
WO-2001029044-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2001-04-26 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 (4 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-20140038964-A1 IMIDAZOLE BASED LXR MODULATORS NR1H2, NR1H3, NR1H4 DGAT1 1616/4885ELANE 4035/4885TRPA1 1810/4885
US-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS NR1H2, NR1H3, NR1I2 DGAT1 1782/4885ELANE 4180/4885TRPA1 1713/4885
US-20030216411-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR DGAT1 3065/4885ELANE 2842/4885TRPA1 2782/4885
US-20220089592-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK2, IRAK1 DGAT1 4708/4885ELANE 4789/4885TRPA1 1787/4885

“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.