SCHEMBL7127133

SCHEMBL7127133

O=C(O)c1ccc(Oc2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)cc1C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.73
CCR1 P32246 2/20 0.73
PYGL P06737 2/20 0.57
PYGM P11217 2/20 0.57
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
CCR4 P51679 1/20 0.55
CCR5 P51681 1/20 0.55
KCNH2 Q12809 1/20 0.55

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 0.87 CCR2 (0.55) CCR2CCR1PYGLPYGMCYP1A2
SCHEMBL7118434 0.86 PYGL (0.61) CCR2CCR1PYGLPYGMCYP1A2
SCHEMBL7127256 0.86 CCR2 (0.61) CCR2CCR1PYGLPYGMCYP1A2
SCHEMBL7126634 0.86 CCR1 (0.60) CCR2CCR1PYGLCYP1A2CYP2C9
SCHEMBL3148243 0.85 CCR2 (0.70) CCR2CCR1CCR5
SCHEMBL7128331 0.83 KDM4E (0.57) CCR2CCR1PYGLPYGM
SCHEMBL3144199 0.80 CCR2 (0.68) CCR2CCR1CYP1A2CYP3A4CYP2D6
SCHEMBL7125502 0.79 PYGM (0.79) PYGLPYGM
SCHEMBL12200779 0.77 CCR2 (0.73) CCR2CCR1
SCHEMBL5117217 0.77 CCR2 (0.59) CCR2CCR1

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 CCR2 4647/4885CCR1 4416/4885PYGL 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.