SCHEMBL344602

SCHEMBL344602

CC(C)(C)OC[C@H]1NCCNC1=O.Cc1ccc(C(=O)C(O)(C(=O)O)C(O)(C(=O)O)C(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
TSHR P16473 2/20 0.46
LMNA P02545 2/20 0.38
GLA P06280 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
KDM4E B2RXH2 3/20 0.38
USP2 O75604 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
Acetic Acid SCHEMBL2774932 0.81 GLA (0.44) SMN1; SMN2TSHRLMNAGLAKMT2A
SCHEMBL345484 0.78 SMN1; SMN2 (0.40) SMN1; SMN2TSHRLMNAGLAKMT2A
SCHEMBL344603 0.75 PKM (0.33) SMN1; SMN2KMT2AMEN1KDM4EALDH1A1
SCHEMBL3777741 0.69 CA2 (0.59) SMN1; SMN2LMNAKMT2AMEN1NPSR1
SCHEMBL29229502 0.69 CA2 (0.59) SMN1; SMN2LMNAKMT2AMEN1NPSR1
SCHEMBL5718255 0.69 CA2 (0.59) SMN1; SMN2LMNAKMT2AMEN1NPSR1
SCHEMBL2986282 0.69 CA2 (0.59) SMN1; SMN2LMNAKMT2AMEN1NPSR1
SCHEMBL72170 0.69 CA2 (0.59) SMN1; SMN2LMNAKMT2AMEN1NPSR1
Water SCHEMBL1654584 0.68 CA2 (0.57) SMN1; SMN2LMNAKMT2AMEN1NPSR1
Water SCHEMBL21457923 0.68 CA2 (0.57) SMN1; SMN2LMNAKMT2AMEN1NPSR1

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 SMN1; SMN2 2954/4885TSHR 2902/4885LMNA 3756/4885

“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.