SCHEMBL3979997

SCHEMBL3979997

O=C(NCc1ccc(C(=O)O)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.52
EPHX2 P34913 2/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
HPGD P15428 2/20 0.50
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
LMNA P02545 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
PLAU P00749 1/20 0.48
NPC1 O15118 1/20 0.48
MITF O75030 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL20022955 0.91 HTT (0.55) KMT2AMEN1LMNASLC6A2SLC6A3
SCHEMBL20022975 0.85 L3MBTL1 (0.57) KMT2AMEN1HPGDSLC6A2SLC6A3
SCHEMBL20022962 0.85 LMNA (0.58) KMT2AHPGDLMNANPC1RAB9A
SCHEMBL20022981 0.85 PLAAT3 (0.59) KMT2AMEN1HPGDLMNAPLAU
SCHEMBL20022977 0.85 SMN1; SMN2 (0.62) KMT2AMEN1HPGDLMNAPLAU
SCHEMBL991841 0.85 HDAC1 (0.64) NR1H4EPHX2KMT2ANR4A1NR4A2
SCHEMBL20022976 0.83 NPC1 (0.62) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL1853411 0.79 KMT2A (0.50) EPHX2KMT2AMEN1HPGDLMNA
SCHEMBL419555 0.77 KMT2A (0.81) KMT2AMEN1HPGDNR4A1NR4A2
SCHEMBL1567228 0.77 SMN1; SMN2 (0.68) NR1H4EPHX2KMT2AMEN1CTDSP1

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-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 NR1H4 168/4885EPHX2 2292/4885KMT2A 2893/4885

“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.