SCHEMBL12295406

SCHEMBL12295406

CN[C@H](CO)CC(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
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
ANPEP P15144 1/20 0.32
ENPEP Q07075 1/20 0.32
TGFBR1 P36897 1/20 0.31
TET2 Q6N021 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 2/20 0.31
RAB9A P51151 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
LMNA P02545 3/20 0.30
KDM4E B2RXH2 2/20 0.30
CA12 O43570 1/20 0.30
CA14 Q9ULX7 1/20 0.30

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
SCHEMBL12940852 1.00 TSHR (0.40) TSHRHSD17B10MGAMGAASI
SCHEMBL9856671 0.82 TSHR (0.40) TSHRHSD17B10MGAMGAASI
SCHEMBL12295404 0.82 TSHR (0.40) TSHRHSD17B10MGAMGAASI
SCHEMBL14593131 0.81 GAA (0.48) TSHRHSD17B10MGAMGAASI
SCHEMBL10000224 0.80 MGAM (0.46) TSHRHSD17B10MGAMGAASI
SCHEMBL13936455 0.80 MGAM (0.41) TSHRHSD17B10MGAMGAASI
SCHEMBL16982706 0.80 TSHR (0.39) TSHRHSD17B10MGAMGAASI
SCHEMBL25636669 0.79 CYP2D6 (0.42) GAAMEN1KMT2ACA12CA14
SCHEMBL23222856 0.78 TSHR (0.37) TSHRHSD17B10MGAMGAASI
SCHEMBL2758953 0.78 TSHR (0.48) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2897/4885HSD17B10 1973/4885MGAM 1906/4885
US-20140256743-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTSZ TSHR 3675/4885HSD17B10 2293/4885MGAM 1377/4885
US-20110230446-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTSZ TSHR 3675/4885HSD17B10 2293/4885MGAM 1377/4885
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 3760/4885HSD17B10 4226/4885MGAM 1200/4885

“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.