SCHEMBL3983003

SCHEMBL3983003

Cc1nn(C)c(C)c1C(=O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 4/20 0.46
GAA P10253 2/20 0.46
L3MBTL1 Q9Y468 4/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 2/20 0.37
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
POLB P06746 2/20 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
SCHEMBL1335845 0.83 KDM4E (0.60) KDM4EALDH1A1GAAL3MBTL1NPC1
Hydrochloric Acid SCHEMBL10341079 0.81 KDM4E (0.58) KDM4EALDH1A1GAAL3MBTL1NPC1
SCHEMBL335081 0.78 KDM4E (0.60) KDM4EALDH1A1GAAL3MBTL1NPC1
SCHEMBL15774159 0.77 KDM4E (0.58) KDM4EALDH1A1GAAL3MBTL1NPC1
SCHEMBL3229381 0.77 KDM4E (0.63) KDM4EALDH1A1GAAL3MBTL1NPC1
SCHEMBL4205499 0.77 KDM4E (0.58) KDM4EALDH1A1GAAL3MBTL1NPC1
Hydrochloric Acid SCHEMBL5010808 0.75 KDM4E (0.61) KDM4EALDH1A1GAAL3MBTL1NPC1
SCHEMBL18309088 0.73 KDM4E (0.59) KDM4EALDH1A1GAAL3MBTL1NPC1
SCHEMBL352921 0.73 KDM4E (0.70) KDM4EALDH1A1GAAL3MBTL1SMN1; SMN2
SCHEMBL8018524 0.73 KDM4E (0.55) KDM4EALDH1A1GAAL3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1515972-B1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY HOFFMANN LA ROCHE (CH) 2009-05-13 EP disclosed
EP-1515972-B1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY HOFFMANN LA ROCHE (CH) 2009-05-13 EP disclosed
US-7135475-B2 Antidiabetic agents HOFFMANN-LA ROCHE INC. (US) 2006-11-14 US disclosed
EP-1515972-A1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2005-03-23 EP disclosed
US-20040014766-A1 Amide substituted xanthine derivatives HOFFMANN-LA ROCHE INC. 2004-01-22 US disclosed
WO-2003106459-A1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2003-12-24 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-20040014766-A1 Amide substituted xanthine derivatives GYS2, GLS2, PYGL KDM4E 2068/4885ALDH1A1 297/4885GAA 423/4885

“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.