SCHEMBL1144274

SCHEMBL1144274

COC(=O)C[C@@H](C)NC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
MTNR1A P48039 12/20 0.42
MTNR1B P49286 12/20 0.42
TSHR P16473 2/20 0.40
ACACB O00763 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL1144293 1.00 MGAM (0.42) MGAMGAASIMGAM2MTNR1A
SCHEMBL1144297 1.00 MGAM (0.42) MGAMGAASIMGAM2MTNR1A
SCHEMBL5808284 0.83 TSHR (0.41) MTNR1AMTNR1BTSHRACACBALDH1A1
SCHEMBL16367683 0.82 TSHR (0.40) MGAMGAASIMGAM2TSHR
SCHEMBL12164763 0.82 TSHR (0.40) MGAMGAASIMGAM2TSHR
SCHEMBL8972302 0.82 TSHR (0.40) MGAMGAASIMGAM2TSHR
SCHEMBL22246440 0.81 MGAM (0.48) MGAMGAASIMGAM2MTNR1A
SCHEMBL1405629 0.81 MGAM (0.48) MGAMGAASIMGAM2MTNR1A
SCHEMBL13356642 0.81 MGAM (0.48) MGAMGAASIMGAM2MTNR1A
SCHEMBL17208359 0.80 TSHR (0.39) MGAMGAASIMGAM2TSHR

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-110683960-A Synthesis method of (R) -3-aminobutanol 台州达辰药业有限公司 2020-01-14 CN disclosed
US-9029571-B2 Device and method for evaluating organic material for organic solar cell NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2015-05-12 US disclosed
CN-102985431-B Method for producing optically active 1,2-bis(dialkylphosphino)benzene derivative NIPPON CHEMICAL IND 2014-12-03 CN disclosed
US-20140213800-A1 DEVICE AND METHOD FOR EVALUATING ORGANIC MATERIAL FOR ORGANIC SOLAR CELL NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2014-07-31 US disclosed
CN-102985431-A Method for producing optically active 1,2-bis(dialkylphosphino)benzene derivative NIPPON CHEMICAL IND 2013-03-20 CN disclosed
CN-101328134-B Method for splitting 3-acetamido methyl butyrate antipode BAOSHAN IRON & STEEL 2011-07-06 CN disclosed
US-7893296-B2 Method for producing an optically active β-amino acid TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-02-22 US disclosed
CN-101328134-A Method for splitting 3-acetamido methyl butyrate antipode BAOSHAN IRON & STEEL (CN) 2008-12-24 CN disclosed
US-20040023344-A1 Method for producing an optically activ beta-amino acid TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-02-05 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 (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-20140213800-A1 DEVICE AND METHOD FOR EVALUATING ORGANIC MATERIAL FOR ORGANIC SOLAR CELL HAO2, HAO1, DAO MGAM 3934/4885GAA 3049/4885SI 3089/4885

“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.