SCHEMBL2623071

SCHEMBL2623071

C/N=N/C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.36
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 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
SCHEMBL15866436 1.00 DGAT1 (0.36) DGAT1GAAALDH1A1HPGD
SCHEMBL77789 0.86 DGAT1 (0.40) DGAT1ALDH1A1HPGD
SCHEMBL796349 0.86 DGAT1 (0.40) DGAT1ALDH1A1HPGD
SCHEMBL77788 0.86 DGAT1 (0.40) DGAT1ALDH1A1HPGD
SCHEMBL20278337 0.82 DGAT1 (0.34) DGAT1GAAALDH1A1HPGD
SCHEMBL396036 0.78
SCHEMBL15843648 0.77 DGAT1 (0.44) DGAT1ALDH1A1HPGD
SCHEMBL14803915 0.77 DGAT1 (0.34) DGAT1ALDH1A1HPGD
SCHEMBL904794 0.77 DGAT1 (0.34) DGAT1ALDH1A1HPGD
SCHEMBL17703335 0.77 DGAT1 (0.34) DGAT1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073823-B2 Compound having hetero ring skeleton, and process for producing optically active compound using the aforementioned compound as asymmetric catalyst KYOTO UNIVERSITY (JP) 2015-07-07 US disclosed
US-8580804-B2 Compound having hetero ring skeleton, and process for producing optically active compound using the aforementioned compound as asymmetric catalyst KYOTO UNIVERSITY (JP) 2013-11-12 US disclosed
US-20130245257-A1 COMPOUND HAVING HETERO RING SKELETON, AND PROCESS FOR PRODUCING OPTICALLY ACTIVE COMPOUND USING THE AFOREMENTIONED COMPOUND AS ASYMMETRIC CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-09-19 US disclosed
US-20120095227-A1 COMPOUND HAVING HETERO RING SKELETON, AND PROCESS FOR PRODUCING OPTICALLY ACTIVE COMPOUND USING THE AFOREMENTIONED COMPOUND AS ASYMMETRIC CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-19 US 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-20130245257-A1 COMPOUND HAVING HETERO RING SKELETON, AND PROCESS FOR PRODUCING OPTICALLY ACTIVE COMPOUND USING THE AFOREMENTIONED COMPOUND AS ASYMMETRIC CATALYST COASY, LSS, INF2 DGAT1 2209/4885GAA 2524/4885ALDH1A1 2537/4885
US-20120095227-A1 COMPOUND HAVING HETERO RING SKELETON, AND PROCESS FOR PRODUCING OPTICALLY ACTIVE COMPOUND USING THE AFOREMENTIONED COMPOUND AS ASYMMETRIC CATALYST CCNL2, ASH2L, AHR DGAT1 4548/4885GAA 3877/4885ALDH1A1 2003/4885

“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.