SCHEMBL1154446

SCHEMBL1154446

CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.38
ANPEP P15144 1/20 0.38
NR1H2 P55055 4/20 0.37
NR1H3 Q13133 2/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD11B1 P28845 1/20 0.36
HTRA1 Q92743 1/20 0.35
UCHL1 P09936 1/20 0.35
MCL1 Q07820 3/20 0.34
GPR119 Q8TDV5 1/20 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
SCHEMBL1155188 1.00 MMP2 (0.38) MMP2ANPEPNR1H2NR1H3CHRM2
SCHEMBL19910775 0.88 CHRM2 (0.37) MMP2ANPEPNR1H2NR1H3CHRM2
SCHEMBL7143154 0.88 HSD17B10 (0.38) MMP2ANPEPNR1H2NR1H3CHRM2
SCHEMBL16754873 0.88 HSD17B10 (0.38) MMP2ANPEPNR1H2NR1H3CHRM2
SCHEMBL8609251 0.88 MMP2 (0.40) MMP2ANPEPNR1H2NR1H3CHRM2
SCHEMBL8607697 0.88 MMP2 (0.40) MMP2ANPEPNR1H2NR1H3CHRM2
SCHEMBL3382551 0.88 HSD17B10 (0.38) MMP2ANPEPNR1H2NR1H3CHRM2
SCHEMBL4418512 0.88 HSD17B10 (0.38) MMP2ANPEPNR1H2NR1H3CHRM2
SCHEMBL8990042 0.88 HSD17B10 (0.38) MMP2ANPEPNR1H2NR1H3CHRM2
SCHEMBL5691732 0.85 MMP2 (0.48) MMP2ANPEPNR1H2NR1H3CHRM2

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-7893103-B2 Dipeptidyl peptidase IV (DPP-IV); industrial scale process of making antidiabetics such as (2S,4S)-1-{2-[(3SR,1RS)-3-(1H-1,2,4-Triazol-1-ylmethyl)cyclopentylamino]acetyl}-4-fluoro-pyrrolidine-2-carbonitrile starting from ethyl glyoxalate and 3-(1H-1,2,4-triazol-1-ylmethyl)cyclopententylamine for example GLENMARK PHARMACEUTICALS, S.A. (CH) 2011-02-22 US disclosed
EP-2035395-A2 NOVEL PROCESSES FOR THE PREPARATION OF DPP IV INHIBITORS Glenmark Pharmaceuticals S.A. (CH) 2009-03-18 EP disclosed
US-20080076818-A1 NOVEL PROCESSES FOR THE PREPARATION OF DPP IV INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2008-03-27 US disclosed
WO-2008001195-A2 NOVEL PROCESSES FOR THE PREPARATION OF DPP IV INHIBITORS GLENMARK PHARMACEUTICALS S.A. (US) 2008-01-03 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 (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-20080076818-A1 NOVEL PROCESSES FOR THE PREPARATION OF DPP IV INHIBITORS DPP4, DPP7, DPP3 MMP2 39/4885ANPEP 61/4885NR1H2 4402/4885

“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.