SCHEMBL298612

SCHEMBL298612

C#Cc1ccnc2[nH]cc(C(=O)c3cccc(NS(=O)(=O)c4ccc(C(F)(F)F)cc4)c3F)c12

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 7/20 0.51
CYP2C9 P11712 10/20 0.51
CYP3A4 P08684 10/20 0.49

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
SCHEMBL10249765 0.88 CYP3A4 (0.49) CYP2C19CYP2C9CYP3A4
SCHEMBL77863 0.87 CYP2C19 (0.67) CYP2C19CYP2C9CYP3A4
SCHEMBL298260 0.85 CYP3A4 (0.62) CYP2C19CYP2C9CYP3A4
SCHEMBL288130 0.83 SLC40A1 (0.53) CYP2C19CYP2C9CYP3A4
SCHEMBL287955 0.80 CYP2C9 (0.66) CYP2C19CYP2C9CYP3A4
SCHEMBL77073 0.79 CYP3A4 (0.75) CYP2C19CYP2C9CYP3A4
SCHEMBL287506 0.77 CYP2C9 (0.59) CYP2C19CYP2C9CYP3A4
SCHEMBL76827 0.77 CYP2C9 (0.48) CYP2C19CYP2C9CYP3A4
SCHEMBL298358 0.76 CYP2C9 (0.62) CYP2C19CYP2C9CYP3A4
SCHEMBL298151 0.76 CYP2C9 (0.62) CYP2C19CYP2C9CYP3A4

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 4 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
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 CYP2C19 2730/4885CYP2C9 2176/4885CYP3A4 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.