SCHEMBL5447809

SCHEMBL5447809

COCC1=C(C(=O)OC)C(c2ccc(C)cc2)C(C(=O)OC(C)(C)C)=C(C)N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.51
ALDH1A1 P00352 5/20 0.49
TSHR P16473 4/20 0.49
HSD17B10 Q99714 4/20 0.49
HPGD P15428 3/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KDM4E B2RXH2 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 2/20 0.48
RAB9A P51151 1/20 0.48
ADORA3 P0DMS8 2/20 0.47
GAA P10253 3/20 0.46
CACNA1F O60840 3/20 0.45
CACNA1D Q01668 3/20 0.45
CACNA1S Q13698 3/20 0.45
CACNA1C Q13936 3/20 0.45
LMNA P02545 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
SCHEMBL28735975 0.80 TSHR (0.56) ALDH1A1TSHRHSD17B10HPGDKMT2A
SCHEMBL7436006 0.79 TSHR (0.72) ALDH1A1TSHRHSD17B10HPGDKMT2A
SCHEMBL5456439 0.78 KDM4E (0.50) ALDH1A1TSHRHSD17B10HPGDKDM4E
SCHEMBL7245896 0.76 ADORA3 (0.57) ALDH1A1TSHRHSD17B10HPGDKMT2A
SCHEMBL3023511 0.75 ALDH1A1 (0.48) ALDH1A1TSHRHSD17B10HPGDKMT2A
SCHEMBL28735976 0.75 ADORA3 (0.50) ALDH1A1TSHRHSD17B10HPGDKMT2A
SCHEMBL7265410 0.74 TSHR (0.65) ALDH1A1TSHRHSD17B10HPGDKMT2A
SCHEMBL4124732 0.74 NR3C2 (0.47) NR3C2ALDH1A1TSHRHSD17B10HPGD
SCHEMBL11009730 0.74 TSHR (0.64) ALDH1A1TSHRHSD17B10HPGDKMT2A
SCHEMBL7241522 0.74 ADORA3 (0.55) ALDH1A1TSHRHSD17B10HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 US disclosed
EP-1678138-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV Takeda Pharmaceutical Company Limited (JP) 2006-07-12 EP disclosed
WO-2005042488-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 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-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV DPP4, DPP3, PEPD NR3C2 1226/4885ALDH1A1 743/4885TSHR 1907/4885

“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.