SCHEMBL16397804

SCHEMBL16397804

C=C(C)C(=O)O[C@@H]1C[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.36
UCHL1 P09936 1/20 0.36
ATM Q13315 1/20 0.35
NR1H2 P55055 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
HTRA1 Q92743 1/20 0.32
MCL1 Q07820 4/20 0.32
HSD11B1 P28845 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL16397537 1.00 HSD17B10 (0.36) HSD17B10UCHL1ATMNR1H2CYP1A2
SCHEMBL16397507 1.00 HSD17B10 (0.36) HSD17B10UCHL1ATMNR1H2CYP1A2
SCHEMBL16397763 1.00 HSD17B10 (0.36) HSD17B10UCHL1ATMNR1H2CYP1A2
SCHEMBL12896197 0.90 ATM (0.35) UCHL1ATM
SCHEMBL3843496 0.86 HSD17B10 (0.39) HSD17B10UCHL1ATMNR1H2CYP1A2
SCHEMBL2248123 0.86 HSD17B10 (0.39) HSD17B10UCHL1ATMNR1H2CYP1A2
SCHEMBL13375877 0.86 HSD17B10 (0.39) HSD17B10UCHL1ATMNR1H2CYP1A2
SCHEMBL12435224 0.85 HSD17B10 (0.40) HSD17B10UCHL1ATMNR1H2CYP1A2
SCHEMBL12896189 0.83 ELANE (0.32) HSD17B10UCHL1
SCHEMBL16397895 0.82 HSD17B10 (0.36) HSD17B10UCHL1ATMNR1H2CYP1A2

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
US-9969678-B2 Method of producing optically active β-aminocarbonyl compound DEXERIALS CORPORATION (JP) 2018-05-15 US claimed
US-20160250625-A1 METHOD OF PRODUCING OPTICALLY ACTIVE COMPOUND DEXERIALS CORPORATION (JP) 2016-09-01 US claimed
US-20160159729-A1 METHOD OF PRODUCING OPTICALLY ACTIVE ß-AMINOCARBONYL COMPOUND DEXERIALS CORPORATION (JP) 2016-06-09 US claimed
WO-2014196542-A1 OPTICALLY ACTIVE COMPOUND PRODUCTION METHOD デクセリアルズ株式会社 (JP) 2014-12-11 WO claimed
US-9969678-B2 Method of producing optically active β-aminocarbonyl compound DEXERIALS CORPORATION (JP) 2018-05-15 US disclosed
US-9687833-B2 Method of producing optically active compound DEXERIALS CORPORATION (JP) 2017-06-27 US disclosed
US-20160250625-A1 METHOD OF PRODUCING OPTICALLY ACTIVE COMPOUND DEXERIALS CORPORATION (JP) 2016-09-01 US disclosed
US-20160159729-A1 METHOD OF PRODUCING OPTICALLY ACTIVE ß-AMINOCARBONYL COMPOUND DEXERIALS CORPORATION (JP) 2016-06-09 US disclosed
WO-2014196542-A1 OPTICALLY ACTIVE COMPOUND PRODUCTION METHOD デクセリアルズ株式会社 (JP) 2014-12-11 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 (2 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-20160159729-A1 METHOD OF PRODUCING OPTICALLY ACTIVE ß-AMINOCARBONYL COMPOUND PAICS, AAAS, ALG8 HSD17B10 3124/4885UCHL1 1352/4885ATM 1695/4885
US-20160250625-A1 METHOD OF PRODUCING OPTICALLY ACTIVE COMPOUND ALOX5, ENO1, EPX HSD17B10 2399/4885UCHL1 2046/4885ATM 3151/4885

“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.