SCHEMBL5455885

SCHEMBL5455885

CCOC(=O)C(OC=O)c1nccs1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
PKM P14618 4/20 0.43
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
CTSA P10619 7/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
GLA P06280 1/20 0.34
NPC1 O15118 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34

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
SCHEMBL5455877 0.83 PKM (0.43) ALDH1A1PKMMAPTHTTLMNA
SCHEMBL5458252 0.80 CTSA (0.36) ALDH1A1HTTCTSA
SCHEMBL8429804 0.80 ALDH1A1 (0.51) ALDH1A1PKMMAPTHTTLMNA
SCHEMBL5719579 0.79 ALDH1A1 (0.46) ALDH1A1PKMMAPTHTTLMNA
SCHEMBL5449342 0.79 ALDH1A1 (0.33) ALDH1A1CTSA
SCHEMBL908619 0.77 ALDH1A1 (0.49) ALDH1A1PKMMAPTHTTLMNA
SCHEMBL11199782 0.76 ALDH1A1 (0.51) ALDH1A1PKMMAPTHTTLMNA
SCHEMBL27532419 0.72 MAPKAPK2 (0.35) ALDH1A1LMNACTSARAB9AMEN1
SCHEMBL27641754 0.70 ALDH1A1 (0.42) ALDH1A1PKMMAPTHTTLMNA
SCHEMBL11162453 0.69 PKM (0.41) ALDH1A1PKMMAPTHTTLMNA

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 ALDH1A1 743/4885PKM 2152/4885MAPT 4676/4885

“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.