SCHEMBL298763

SCHEMBL298763

O=C(c1cc(NS(=O)(=O)c2ccc(F)cc2)ccc1F)c1c[nH]c2ncc(Cl)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.57
CYP2C19 P33261 3/20 0.57
BRAF P15056 5/20 0.52
CLK1 P49759 2/20 0.50
KIT P10721 2/20 0.50
BMPR1B O00238 1/20 0.50
PLK4 O00444 1/20 0.50
PIR O00625 1/20 0.50
AURKA O14965 1/20 0.50
DCLK1 O15075 1/20 0.50
EPHB6 O15197 1/20 0.50
RIPK2 O43353 1/20 0.50
STK16 O75716 1/20 0.50
OXSR1 O95747 1/20 0.50
MAP4K4 O95819 1/20 0.50
ABL1 P00519 1/20 0.50
RAF1 P04049 1/20 0.50
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
FES P07332 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
SCHEMBL297193 0.95 BRAF (0.53) CYP2C9CYP2C19BRAFCLK1KIT
SCHEMBL299148 0.91 BRAF (0.49) CYP2C9CYP2C19BRAFCLK1KIT
SCHEMBL858685 0.90 CYP3A4 (0.59) CYP2C9CYP2C19BRAFCLK1KIT
SCHEMBL298354 0.89 CYP3A4 (0.53) CYP2C9CYP2C19BRAFCLK1KIT
SCHEMBL298193 0.88 CYP2C9 (0.47) CYP2C9CYP2C19BRAFCLK1KIT
SCHEMBL298104 0.87 CYP2C9 (0.53) CYP2C9CYP2C19BRAFCLK1KIT
SCHEMBL298074 0.85 CLK1 (0.46) CYP2C9BRAFCLK1MAP2K1DYRK1A
SCHEMBL298315 0.85 CYP3A4 (0.49) CYP2C9CYP2C19BRAFCLK1KIT
SCHEMBL858837 0.84 CYP3A4 (0.56) CYP2C9CYP2C19BRAFCLK1KIT
SCHEMBL414904 0.83 CYP2C19 (0.81) CYP2C9CYP2C19BRAFCLK1KIT

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 5 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

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 2176/4885CYP2C19 2730/4885BRAF 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.