SCHEMBL5456439

SCHEMBL5456439

CCOC(=O)C1=C(CNC(=O)OC(C)(C)C)NC(C)=C(C(=O)OC(C)(C)C)C1c1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ABCC1 P33527 1/20 0.49
LMNA P02545 2/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ADORA3 P0DMS8 3/20 0.47
HTT P42858 1/20 0.42
NR1I2 O75469 1/20 0.42
PGR P06401 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
SLC6A2 P23975 1/20 0.42
TBXAS1 P24557 1/20 0.42
CYP2C19 P33261 1/20 0.42
DRD3 P35462 1/20 0.42
OPRK1 P41145 1/20 0.42

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
SCHEMBL5447809 0.78 NR3C2 (0.51) KDM4EALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL3032293 0.77 KDM4E (0.80) KDM4EALDH1A1TSHRSMN1; SMN2ABCC1
SCHEMBL7817206 0.73 KDM4E (0.88) KDM4EALDH1A1TSHRSMN1; SMN2ABCC1
SCHEMBL7267309 0.72 KDM4E (0.72) KDM4EALDH1A1TSHRSMN1; SMN2ABCC1
SCHEMBL7814649 0.71 KDM4E (0.70) KDM4EALDH1A1TSHRSMN1; SMN2ABCC1
SCHEMBL14576820 0.71 ADORA3 (0.68) KDM4EALDH1A1TSHRSMN1; SMN2ABCC1
SCHEMBL7815204 0.70 KDM4E (0.72) KDM4EALDH1A1TSHRSMN1; SMN2ABCC1
SCHEMBL5464090 0.70 ADORA3 (0.68) KDM4EALDH1A1TSHRSMN1; SMN2ABCC1
SCHEMBL5464086 0.70 ADORA3 (0.68) KDM4EALDH1A1TSHRSMN1; SMN2ABCC1
SCHEMBL4124732 0.69 NR3C2 (0.47) KDM4EALDH1A1TSHRSMN1; SMN2ABCC1

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 KDM4E 569/4885ALDH1A1 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.