SCHEMBL296763

SCHEMBL296763

O=C(O)CCc1cccc(-c2cnc3[nH]cc(C(=O)c4ccccc4NS(=O)(=O)C4CCCCC4)c3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.42
IGF1R P08069 1/20 0.40
TBXAS1 P24557 1/20 0.40
AXL P30530 1/20 0.40
PAK1 Q13153 6/20 0.39
ACLY P53396 1/20 0.39
PAK4 O96013 1/20 0.39
SGK1 O00141 1/20 0.39
AURKA O14965 1/20 0.39
CAMKK1 Q8N5S9 1/20 0.39
SGK3 Q96BR1 1/20 0.39
CAMKK2 Q96RR4 1/20 0.39
SGK2 Q9HBY8 1/20 0.39
JAK3 P52333 1/20 0.39
AAK1 Q2M2I8 1/20 0.39
RIPK1 Q13546 1/20 0.38

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
SCHEMBL298715 0.99 CYP2C9 (0.42) CYP2C9IGF1RTBXAS1AXLPAK1
SCHEMBL296762 0.87 PAK1 (0.42) IGF1RTBXAS1AXLPAK1PAK4
SCHEMBL298714 0.86 PAK1 (0.43) IGF1RTBXAS1AXLPAK1PAK4
SCHEMBL3714332 0.84 JAK3 (0.40) CYP2C9TBXAS1AXLPAK1PAK4
SCHEMBL7872687 0.73 AAK1 (0.50) AXLPAK1PAK4AURKASGK2
SCHEMBL298320 0.73 CYP2C9 (0.48) CYP2C9PAK1RIPK1
SCHEMBL298745 0.72 CAMKK2 (0.52) CYP2C9AXLPAK1PAK4AURKA
SCHEMBL298881 0.72 CAMKK2 (0.48) CYP2C9PAK1CAMKK2RIPK1
SCHEMBL298879 0.72 CYP2C9 (0.49) CYP2C9PAK1RIPK1
SCHEMBL298205 0.71 CAMKK2 (0.49) CYP2C9PAK1CAMKK2RIPK1

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
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 2176/4885IGF1R 1992/4885TBXAS1 1128/4885

“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.