SCHEMBL4458190

SCHEMBL4458190

O=C(O)CN(Cc1cccc(F)c1)S(=O)(=O)c1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 3/20 0.51
KEAP1 Q14145 1/20 0.51
DAGLA Q9Y4D2 7/20 0.45
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
KCNH2 Q12809 2/20 0.44
MEP1B Q16820 2/20 0.44
ALDH1A1 P00352 1/20 0.43
CXCR3 P49682 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4459383 0.89 KEAP1 (0.48) KEAP1DAGLACYP3A4CYP2D6CYP2C9
SCHEMBL5064407 0.77 KEAP1 (0.40) KEAP1DAGLACYP3A4CYP2D6CYP2C9
SCHEMBL4265325 0.72 PTPN1 (0.57) KEAP1DAGLA
SCHEMBL15705635 0.72 DAGLA (0.71) TAS2R14KEAP1DAGLAMEP1BALDH1A1
SCHEMBL5743320 0.71 KEAP1 (0.35) TAS2R14KEAP1DAGLACYP3A4CYP2D6
SCHEMBL4460686 0.71 PTPN1 (0.49) KEAP1
SCHEMBL4467405 0.71 DAGLA (0.51) DAGLACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1279479 0.69 TAS2R14 (1.00) TAS2R14CXCR3KMT2A
SCHEMBL4269569 0.68 MMP2 (0.66) ALDH1A1
SCHEMBL4465030 0.68 DAGLA (0.58) DAGLACYP3A4CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004369-A1 Phenyl substituted carboxylic acids INSTITUTES FOR PHARMACEUTICAL DISCOVERY, L.L.C. 2005-01-06 US claimed
US-7524878-B2 Phenyl substituted carboxylic acids THE INSTITUTE FOR PHARMACEUTICALS DISCOVERY LLC (US) 2009-04-28 US disclosed
US-7524878-B2 Phenyl substituted carboxylic acids THE INSTITUTE FOR PHARMACEUTICALS DISCOVERY LLC (US) 2009-04-28 US disclosed
US-7524878-B2 Phenyl substituted carboxylic acids THE INSTITUTE FOR PHARMACEUTICALS DISCOVERY LLC (US) 2009-04-28 US disclosed
US-7465825-B2 Phenyl substituted carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2008-12-16 US disclosed
US-7465825-B2 Phenyl substituted carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2008-12-16 US disclosed
US-7465825-B2 Phenyl substituted carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2008-12-16 US disclosed
US-20060122257-A1 Phenyl substituted carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC 2006-06-08 US disclosed
US-20050004369-A1 Phenyl substituted carboxylic acids INSTITUTES FOR PHARMACEUTICAL DISCOVERY, L.L.C. 2005-01-06 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 (2 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-20060122257-A1 Phenyl substituted carboxylic acids PTPA, PTPRS, PTPRO TAS2R14 3500/4885KEAP1 940/4885DAGLA 1744/4885
US-20050004369-A1 Phenyl substituted carboxylic acids PTPA, PTPRS, PTPRO TAS2R14 3500/4885KEAP1 940/4885DAGLA 1744/4885

“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.