SCHEMBL12295403

SCHEMBL12295403

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nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
TGFBR1 P36897 1/20 0.39
HSD17B10 Q99714 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SLC1A1 P43005 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
NFKB1 P19838 1/20 0.34
PTGS2 P35354 1/20 0.34
THPO P40225 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MME P08473 2/20 0.34
FOLH1 Q04609 2/20 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
SCHEMBL14268339 1.00 TSHR (0.40) TSHRTGFBR1HSD17B10MGAMGAA
SCHEMBL3913292 1.00 TSHR (0.40) TSHRTGFBR1HSD17B10MGAMGAA
Hydrochloric Acid SCHEMBL3913288 0.98 TSHR (0.39) TSHRTGFBR1HSD17B10MGAMGAA
SCHEMBL28625413 0.82 TSHR (0.40) TSHRHSD17B10MGAMGAASI
SCHEMBL13475040 0.82 MGAM (0.42) TSHRHSD17B10MGAMGAASI
SCHEMBL1891853 0.82 TSHR (0.40) TSHRHSD17B10MGAMGAASI
SCHEMBL796590 0.82 MGAM (0.42) TSHRHSD17B10MGAMGAASI
SCHEMBL13033614 0.82 TSHR (0.40) TSHRHSD17B10MGAMGAASI
SCHEMBL22111168 0.81 GAA (0.48) TSHRHSD17B10MGAMGAASI
SCHEMBL13159726 0.80 TSHR (0.39) TSHRHSD17B10MGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10745692-B2 Production method for charged non-protein amino acid-containing peptide THE UNIVERSITY OF TOKYO (JP) 2020-08-18 US disclosed
US-20160289668-A1 Production Method for Charged Non-Protein Amino Acid-Containing Peptide THE UNIVERSITY OF TOKYO (JP) 2016-10-06 US disclosed
EP-3031915-A1 PRODUCTION METHOD FOR CHARGED NON-PROTEIN AMINO ACID-CONTAINING PEPTIDE The University of Tokyo (JP) 2016-06-15 EP disclosed
WO-2015019999-A1 PRODUCTION METHOD FOR CHARGED NON-PROTEIN AMINO ACID-CONTAINING PEPTIDE 国立大学法人東京大学 (JP) 2015-02-12 WO disclosed
US-20140256743-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD. (CA) 2014-09-11 US disclosed
US-8772336-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA LTD. (CA) 2014-07-08 US disclosed
US-20130035312-A1 CATHEPSIN CYSTEINE PROTEASE INHIBIORS AXYS PHARMACEUTICALS, INC. (US) 2013-02-07 US disclosed
US-8318748-B2 Cathepsin cysteine protease inhibitors Merck, Sharp & Dohme Corp. (US) 2012-11-27 US disclosed
US-20110230446-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2011-09-22 US disclosed
US-7973037-B2 Cathepsin cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2011-07-05 US disclosed
US-20080188529-A1 N1-(cyanomethyl)-N2-(2,2,2-trifluoro-1-phenylethyl)-L-leucinamide; antiarthritic agent; osteoporosis and other bone loss disorders MERCK CANADA INC. (CA) 2008-08-07 US disclosed
US-7375134-B2 N1-(1-cyanocyclopropyl)-4-fluoro-N2-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)-1,1'-biphenyl-4-yl]ethyl}-L-leucinamide; osteoporosis and other bone loss disorders AXYS PHARMACEUTICALS, INC. (US) 2008-05-20 US disclosed
US-7312353-B2 Cathespin cysteine protease inhibitors MERCK FROST CANADA & CO. (CA) 2007-12-25 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 (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-20130035312-A1 CATHEPSIN CYSTEINE PROTEASE INHIBIORS CTSB, CTSS, CTSZ TSHR 2897/4885TGFBR1 1212/4885HSD17B10 1973/4885
US-20140256743-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTSZ TSHR 3675/4885TGFBR1 2595/4885HSD17B10 2293/4885
US-20110230446-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTSZ TSHR 3675/4885TGFBR1 2595/4885HSD17B10 2293/4885
US-20080188529-A1 N1-(cyanomethyl)-N2-(2,2,2-trifluoro-1-phenylethyl)-L-leucinamide; antiarthritic agent; osteoporosis and other bone loss disorders CTSE, CTSL, CTSK TSHR 3760/4885TGFBR1 1907/4885HSD17B10 4226/4885

“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.