SCHEMBL7128331

SCHEMBL7128331

O=C(O)c1cccc(S(=O)(=O)Nc2ccccc2Oc2ccc(C(=O)O)c(C(=O)O)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
TSHR P16473 1/20 0.57
PTK2B Q14289 1/20 0.57
PYGM P11217 5/20 0.56
PYGL P06737 4/20 0.56
KMT2A Q03164 4/20 0.56
PTGDR2 Q9Y5Y4 1/20 0.55
ACLY P53396 1/20 0.52
MEN1 O00255 3/20 0.51
ALDH1A1 P00352 1/20 0.51
CCR2 P41597 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
RAB9A P51151 1/20 0.50
AKR1C3 P42330 1/20 0.50
CCR1 P32246 1/20 0.50

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
SCHEMBL7126595 0.83 CCR2 (0.55) PYGMPYGLALDH1A1CCR2CCR1
SCHEMBL7127133 0.83 CCR2 (0.73) PYGMPYGLCCR2CCR1
SCHEMBL7118434 0.81 PYGL (0.61) PYGMPYGLKMT2APTGDR2MEN1
SCHEMBL7127256 0.81 CCR2 (0.61) PYGMPYGLPTGDR2ACLYCCR2
SCHEMBL7126634 0.81 CCR1 (0.60) PYGLKMT2APTGDR2ACLYMEN1
SCHEMBL3152930 0.77 KDM4E (0.65) KDM4ETSHRPTK2BKMT2APTGDR2
SCHEMBL6431208 0.76 PYGL (0.80) PYGMPYGLTDP1
SCHEMBL2897956 0.74 CCR1 (0.60) PTGDR2ACLYCCR2TDP1CCR1
SCHEMBL3144199 0.74 CCR2 (0.68) PTGDR2CCR2CCR1
SCHEMBL7373349 0.74 KMT2A (0.68) KDM4ETSHRPTK2BKMT2AACLY

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 2 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

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 KDM4E 484/4885TSHR 3696/4885PTK2B 2079/4885

“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.