SCHEMBL299098

SCHEMBL299098

CS(=O)(=O)c1cccc(-c2cnc3[nH]cc(C(=O)c4cc(NS(=O)(=O)c5cccnc5)ccc4F)c3c2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.51
CYP2C9 P11712 5/20 0.50
PIK3CA P42336 3/20 0.49
CAMKK2 Q96RR4 2/20 0.48
RIPK1 Q13546 1/20 0.48
CYP2C19 P33261 2/20 0.46
PLK4 O00444 2/20 0.45
PAK4 O96013 1/20 0.45
NTRK1 P04629 1/20 0.45
TBK1 Q9UHD2 1/20 0.45
CYP2D6 P10635 1/20 0.44
MAP2K7 O14733 1/20 0.44
MAP2K4 P45985 1/20 0.44
BRAF P15056 1/20 0.43

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
SCHEMBL297762 0.93 PIK3CA (0.54) CYP3A4CYP2C9PIK3CARIPK1CYP2C19
SCHEMBL298449 0.89 CYP2C9 (0.53) CYP3A4CYP2C9PIK3CACAMKK2RIPK1
SCHEMBL298592 0.88 CAMKK2 (0.52) CYP3A4CYP2C9PIK3CACAMKK2RIPK1
SCHEMBL299292 0.86 CYP3A4 (0.50) CYP3A4CYP2C9PIK3CACYP2C19CYP2D6
SCHEMBL299069 0.86 CYP3A4 (0.57) CYP3A4CYP2C9PIK3CACYP2C19MAP2K7
SCHEMBL409620 0.85 CYP2C9 (0.54) CYP3A4CYP2C9PIK3CARIPK1CYP2C19
SCHEMBL298205 0.83 CAMKK2 (0.49) CYP3A4CYP2C9PIK3CACAMKK2RIPK1
SCHEMBL414774 0.83 CAMKK2 (0.55) CYP3A4CYP2C9CAMKK2RIPK1CYP2C19
SCHEMBL4570631 0.83 CAMKK2 (0.55) CYP3A4CYP2C9CAMKK2RIPK1CYP2C19
SCHEMBL298881 0.83 CAMKK2 (0.48) CYP3A4CYP2C9PIK3CACAMKK2RIPK1

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 3 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
EP-2427433-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS Plexxikon, Inc. (US) 2012-03-14 EP 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 CYP3A4 3611/4885CYP2C9 2176/4885PIK3CA 277/4885

“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.