SCHEMBL344090

SCHEMBL344090

COC(=O)C(COC(C)(C)C)NCCNC(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTT P42858 1/20 0.48
CTSL P07711 2/20 0.48
CTSS P25774 2/20 0.48
CTSK P43235 1/20 0.48
SYK P43405 1/20 0.47
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
KYNU Q16719 1/20 0.45
CTSB P07858 1/20 0.44
SLC1A3 P43003 1/20 0.44
SLC1A1 P43005 1/20 0.44
IDO1 P14902 1/20 0.44
TGM2 P21980 1/20 0.44
ABCB1 P08183 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL344091 1.00 LMNA (0.50) LMNASMN1; SMN2HTTCTSLCTSS
SCHEMBL28645265 0.88 LMNA (0.58) LMNASMN1; SMN2HTTCTSLCTSS
SCHEMBL29401640 0.84 CTSK (0.63) CTSLCTSSCTSKSYKKYNU
SCHEMBL344382 0.84 CTSK (0.63) CTSLCTSSCTSKSYKKYNU
SCHEMBL344381 0.84 CTSK (0.63) CTSLCTSSCTSKSYKKYNU
SCHEMBL8083532 0.82 MAPT (0.61) SYKMAPTCA1CA2ABCB1
SCHEMBL8091300 0.82 MAPT (0.61) SYKMAPTCA1CA2ABCB1
SCHEMBL28221031 0.82 LMNA (0.53) LMNASMN1; SMN2HTTCTSLCTSS
SCHEMBL851947 0.81 LMNA (0.52) LMNASMN1; SMN2HTTCTSLCTSS
SCHEMBL13664696 0.81 HTT (0.56) LMNASMN1; SMN2HTTMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2669266-B1 Improved Method for Manufacturing Dipeptidyl Peptidase-IV Inhibitor and Intermediate DONG A ST CO LTD (KR) 2016-02-24 EP disclosed
EP-2669266-A1 Improved Method for Manufacturing Dipeptidyl Peptidase-IV Inhibitor and Intermediate Dong-A Pharmaceutical Co., Ltd. (KR) 2013-12-04 EP disclosed
US-8598347-B2 Method for manufacturing dipeptidyl peptidase-IV inhibitor and intermediate DONG-A PHARMACEUTICAL. CO., LTD (KR) 2013-12-03 US disclosed
EP-2415754-A2 IMPROVED METHOD FOR MANUFACTURING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE Dong-A Pharmaceutical Co., Ltd. (KR) 2012-02-08 EP disclosed
US-20120016126-A1 METHOD FOR MANUFACTURING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE DONG-A PHARMACEUTICAL. CO., LTD (KR) 2012-01-19 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 (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-20120016126-A1 METHOD FOR MANUFACTURING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE DPP4, DPP3, DPP7 LMNA 3756/4885SMN1; SMN2 2954/4885HTT 2216/4885

“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.