SCHEMBL2822544

SCHEMBL2822544

CCOC(=O)c1nc(C)cn1COCC[Si](C)(C)C

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.39
KLKB1 P03952 1/20 0.35
CYP1A2 P05177 2/20 0.35
ALDH1A1 P00352 1/20 0.34
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
TARBP2 Q15633 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL30684567 0.87 DGAT1 (0.39) DGAT1KLKB1CYP1A2GABRA2GABRB2
SCHEMBL1858664 0.87 DGAT1 (0.42) DGAT1KLKB1CYP1A2ALDH1A1GABRA2
SCHEMBL1856217 0.87 DGAT1 (0.44) DGAT1KLKB1CYP1A2GABRA2GABRB2
SCHEMBL13733884 0.86 DGAT1 (0.43) DGAT1KLKB1CYP1A2ALDH1A1GABRA2
SCHEMBL25911876 0.85 DGAT1 (0.37) DGAT1KLKB1CYP1A2GABRA2GABRB2
SCHEMBL18839145 0.85 DGAT1 (0.37) DGAT1KLKB1CYP1A2ALDH1A1GABRA2
SCHEMBL1857062 0.84 DGAT1 (0.38) DGAT1KLKB1ALDH1A1GABRA2GABRB2
SCHEMBL12381794 0.84 DGAT1 (0.37) DGAT1KLKB1CYP1A2GABRA2GABRB2
SCHEMBL30824967 0.84 DGAT1 (0.37) DGAT1KLKB1CYP1A2GABRA2GABRB2
SCHEMBL13560484 0.81 DGAT1 (0.39) DGAT1KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 US disclosed
US-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
US-10894776-B2 2021-01-19 US disclosed
WO-2018064119-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-04-05 WO disclosed
EP-2226322-B1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-01-21 EP disclosed
US-8927588-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-01-06 US disclosed
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
US-8536197-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-17 US disclosed
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-12-09 US disclosed
EP-2226322-A1 IMIDAZOLE CARBONYL COMPOUND Daiichi Sankyo Company, Limited (JP) 2010-09-08 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 (5 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-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 DGAT1 2708/4885KLKB1 3617/4885CYP1A2 4836/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 DGAT1 2911/4885KLKB1 3602/4885CYP1A2 4757/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 DGAT1 2708/4885KLKB1 3617/4885CYP1A2 4836/4885
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A DGAT1 4012/4885KLKB1 1935/4885CYP1A2 2031/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A DGAT1 4316/4885KLKB1 1521/4885CYP1A2 545/4885

“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.