SCHEMBL298715

SCHEMBL298715

O=C(O)CCc1cccc(-c2cnc3[nH]cc(C(=O)c4ccccc4NS(=O)(=O)C4CCCC4)c3c2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.42
AXL P30530 1/20 0.40
IGF1R P08069 1/20 0.40
PAK1 Q13153 7/20 0.40
ACLY P53396 1/20 0.40
PAK4 O96013 1/20 0.40
SGK1 O00141 1/20 0.40
AURKA O14965 1/20 0.40
CAMKK1 Q8N5S9 1/20 0.40
SGK3 Q96BR1 1/20 0.40
CAMKK2 Q96RR4 1/20 0.40
SGK2 Q9HBY8 1/20 0.40
AAK1 Q2M2I8 1/20 0.39
TBXAS1 P24557 1/20 0.39
RIPK1 Q13546 1/20 0.39

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
SCHEMBL296763 0.99 CYP2C9 (0.42) CYP2C9AXLIGF1RPAK1ACLY
SCHEMBL298714 0.87 PAK1 (0.43) AXLIGF1RPAK1PAK4AURKA
SCHEMBL296762 0.86 PAK1 (0.42) AXLIGF1RPAK1PAK4AURKA
SCHEMBL3714332 0.83 JAK3 (0.40) CYP2C9AXLPAK1PAK4SGK1
SCHEMBL7872687 0.74 AAK1 (0.50) AXLPAK1PAK4AURKASGK2
SCHEMBL298879 0.72 CYP2C9 (0.49) CYP2C9PAK1RIPK1
SCHEMBL298205 0.72 CAMKK2 (0.49) CYP2C9PAK1CAMKK2RIPK1
SCHEMBL298320 0.72 CYP2C9 (0.48) CYP2C9PAK1RIPK1
SCHEMBL298745 0.71 CAMKK2 (0.52) CYP2C9AXLPAK1PAK4AURKA
SCHEMBL298881 0.71 CAMKK2 (0.48) 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 2176/4885AXL 470/4885IGF1R 1992/4885

“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.