SCHEMBL4467405

SCHEMBL4467405

O=C(O)CN(Cc1cccc(OC(F)(F)F)c1)S(=O)(=O)c1ccc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 5/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KCNH2 Q12809 1/20 0.51
PTPN1 P18031 13/20 0.51
MEP1B Q16820 1/20 0.46
PTPRF P10586 1/20 0.45
PTPRA P18433 1/20 0.45
PTPN7 P35236 1/20 0.45
DUSP3 P51452 1/20 0.45

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
SCHEMBL4466849 0.90 PTPN1 (0.53) DAGLAPTPN1PTPRFPTPRAPTPN7
SCHEMBL4455545 0.88 PTPN1 (0.49) PTPN1PTPRFPTPRAPTPN7DUSP3
SCHEMBL4467517 0.87 PTPN1 (0.51) PTPN1PTPRFPTPRAPTPN7DUSP3
SCHEMBL4265325 0.86 PTPN1 (0.57) DAGLAPTPN1PTPRFPTPRAPTPN7
SCHEMBL4460686 0.83 PTPN1 (0.49) PTPN1PTPRFPTPRAPTPN7DUSP3
SCHEMBL4854844 0.80 PTPN1 (0.43) PTPN1PTPRFPTPRAPTPN7DUSP3
SCHEMBL5338389 0.75 PTPN1 (0.49) PTPN1PTPRFPTPRAPTPN7DUSP3
SCHEMBL4462116 0.73 PTPN1 (0.50) PTPN1PTPRFPTPRAPTPN7DUSP3
SCHEMBL4455532 0.72 PTPN1 (0.47) PTPN1PTPRFPTPRAPTPN7DUSP3
SCHEMBL4459383 0.72 KEAP1 (0.48) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006525365-A 2006-11-09 JP claimed
EP-1620422-A2 PHENYL SUBSTITUTED CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B The Institutes for Pharmaceutical Discovery, LLC (US) 2006-02-01 EP claimed
US-20050004369-A1 Phenyl substituted carboxylic acids INSTITUTES FOR PHARMACEUTICAL DISCOVERY, L.L.C. 2005-01-06 US claimed
WO-2004099170-A2 PHENYL SUBSTITUTED CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2004-11-18 WO 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-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 (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-20050004369-A1 Phenyl substituted carboxylic acids PTPA, PTPRS, PTPRO DAGLA 1744/4885CYP3A4 2962/4885CYP2D6 1198/4885

“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.