SCHEMBL7116285

SCHEMBL7116285

CCOC(=O)c1ccc(Oc2ccccc2[N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MAPT P10636 5/20 0.47
PYGL P06737 6/20 0.46
PYGM P11217 3/20 0.46
RAB9A P51151 1/20 0.46
HPSE Q9Y251 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ESR2 Q92731 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GALR2 O43603 1/20 0.43
MITF O75030 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HPGD P15428 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
SCHEMBL7125383 0.87 ALDH1A1 (0.50) ALDH1A1MAPTPYGLPYGMRAB9A
SCHEMBL7117029 0.84 SMN1; SMN2 (0.53) PYGLPYGMSMN1; SMN2GAAL3MBTL1
SCHEMBL7118490 0.81 SMN1; SMN2 (0.53) MAPTPYGLRAB9ASMN1; SMN2GAA
SCHEMBL7118376 0.81 ALDH1A1 (0.54) ALDH1A1MAPTPYGLPYGMRAB9A
SCHEMBL7116281 0.81 TDP1 (0.57) ALDH1A1MAPTPYGLPYGMRAB9A
SCHEMBL7117318 0.81 ALDH1A1 (0.48) ALDH1A1MAPTRAB9AHPSESMN1; SMN2
SCHEMBL28165935 0.80 MAPT (0.51) ALDH1A1MAPTRAB9ASMN1; SMN2GAA
SCHEMBL4268650 0.80 ALDH1A1 (0.49) ALDH1A1MAPTRAB9ASMN1; SMN2GAA
SCHEMBL7119622 0.80 ALDH1A1 (0.53) ALDH1A1MAPTRAB9AHPSESMN1; SMN2
SCHEMBL178231 0.79 HPSE (0.52) ALDH1A1MAPTPYGLPYGMHPSE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030186944-A1 Such as 4-(2-(3-dimethylaminobenzoylamino)phenoxy)phthalic acid for treatment/prevention of diabetes; for inhibiting liver glycogen phosphorylase; dietetics KRISTIANSEN MARIT (DK) 2003-10-02 US disclosed
US-6590118-B1 Used in treatment of and/or prevention of diabetes, especially non-insulin dependent diabetes (Type 2 diabetes) NOVO NORDISK A/S (DK) 2003-07-08 US disclosed
EP-1220832-A1 NOVEL AROMATIC COMPOUNDS NOVO NORDISK A/S (DK) 2002-07-10 EP disclosed
WO-2001023347-A1 NOVEL AROMATIC COMPOUNDS NOVO NORDISK A/S (DK) 2001-04-05 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-20030186944-A1 Such as 4-(2-(3-dimethylaminobenzoylamino)phenoxy)phthalic acid for treatment/prevention of diabetes; for inhibiting liver glycogen phosphorylase; dietetics PYGL, GYS2, PYGM ALDH1A1 901/4885MAPT 2042/4885PYGL 1/4885

“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.