SCHEMBL298085

SCHEMBL298085

O=C(c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)c1c[nH]c2ncc(Cl)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.49
FGFR1 P11362 4/20 0.48
KDR P35968 4/20 0.48
EGFR P00533 3/20 0.48
ITGA1 P56199 2/20 0.48
BTK Q06187 1/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 1/20 0.47
BRAF P15056 3/20 0.46
PIK3CA P42336 1/20 0.46
CCR9 P51686 1/20 0.45
WDR5 P61964 1/20 0.45
CYP3A4 P08684 1/20 0.45
BMPR1B O00238 1/20 0.44
PLK4 O00444 1/20 0.44
PIR O00625 1/20 0.44
AURKA O14965 1/20 0.44
DCLK1 O15075 1/20 0.44
EPHB6 O15197 1/20 0.44
RIPK2 O43353 1/20 0.44

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
SCHEMBL298104 0.93 CYP2C9 (0.53) FGFR1KDREGFRITGA1BTK
SCHEMBL3709466 0.91 PGR (0.50) FGFR1KDRBTKCYP2C9CYP2C19
SCHEMBL298707 0.91 CCR9 (0.46) FGFR1KDRITGA1BTKCYP2C9
SCHEMBL3710534 0.89 CYP3A4 (0.57) FGFR1KDRBTKCYP2C9CYP2C19
SCHEMBL297350 0.89 CYP3A4 (0.51) FGFR1KDRBTKCYP2C9CYP2C19
SCHEMBL298889 0.88 CCR9 (0.50) FGFR1KDRITGA1BTKCYP2C9
SCHEMBL297843 0.86 GAA (0.48) CYP2C9CYP2C19BRAFCYP3A4KIT
SCHEMBL7874309 0.86 EGFR (0.44) CYP19A1FGFR1KDREGFRITGA1
SCHEMBL298148 0.84 EGFR (0.57) FGFR1KDREGFRBRAFPIK3CA
SCHEMBL297193 0.84 BRAF (0.53) FGFR1KDREGFRCYP2C9CYP2C19

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 CYP19A1 3393/4885FGFR1 129/4885KDR 1406/4885

“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.