SCHEMBL298756

SCHEMBL298756

O=Cc1c(F)ccc(NS(=O)(=O)C(F)(F)F)c1F

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.61
CYP2D6 P10635 1/20 0.61
CYP3A4 P08684 1/20 0.57
CYP2C19 P33261 1/20 0.57
CA2 P00918 8/20 0.49
CA1 P00915 3/20 0.49
PTGS1 P23219 6/20 0.39
PTGS2 P35354 6/20 0.39
PTPN1 P18031 1/20 0.38
PTPN11 Q06124 1/20 0.37
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL412856 0.79 CYP2C9 (0.65) CYP2C9CYP2D6CYP3A4CYP2C19SMN1; SMN2
SCHEMBL7044294 0.78 CA2 (0.50) CYP2C9CYP2D6CA2CA1PTGS1
SCHEMBL7869189 0.77 CYP2C9 (0.70) CYP2C9CYP2D6CYP3A4CYP2C19PTGS1
SCHEMBL7875034 0.77 CYP2C9 (0.80) CYP2C9CYP2D6CYP3A4CYP2C19SMN1; SMN2
SCHEMBL76822 0.76 CYP2C9 (1.00) CYP2C9CYP2D6CYP3A4CYP2C19
SCHEMBL413622 0.75 CYP2C9 (0.60) CYP2C9CYP2D6CYP3A4CYP2C19
SCHEMBL856150 0.75 CYP2C9 (0.60) CYP2C9CYP2D6CYP3A4CYP2C19
SCHEMBL1818214 0.75 CYP2C9 (0.56) CYP2C9CYP2D6CYP3A4CYP2C19
SCHEMBL414987 0.74 CYP2C9 (0.74) CYP2C9CYP2D6CYP3A4CYP2C19
SCHEMBL288456 0.74 CYP2C9 (0.55) CYP2C9CYP2D6CYP3A4CYP2C19PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
EP-2427433-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS Plexxikon, Inc. (US) 2012-03-14 EP disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 WO disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 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-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS BRAF, RAF1, ARAF CYP2C9 2176/4885CYP2D6 3025/4885CYP3A4 3611/4885

“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.