SCHEMBL296762

SCHEMBL296762

O=C(O)CCc1cccc(-c2cnc3[nH]cc(C(=O)c4cccc(NS(=O)(=O)C5CCCCC5)c4)c3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 4/20 0.42
AAK1 Q2M2I8 2/20 0.42
TBXAS1 P24557 1/20 0.41
AXL P30530 2/20 0.40
JAK3 P52333 2/20 0.40
CDC7 O00311 1/20 0.40
PLK4 O00444 1/20 0.40
CHEK1 O14757 1/20 0.40
AURKA O14965 1/20 0.40
MAPK13 O15264 1/20 0.40
PDPK1 O15530 1/20 0.40
DYRK3 O43781 1/20 0.40
ROCK2 O75116 1/20 0.40
RPS6KA5 O75582 1/20 0.40
PRKD3 O94806 1/20 0.40
PAK4 O96013 1/20 0.40
CHEK2 O96017 1/20 0.40
ABL1 P00519 1/20 0.40
EGFR P00533 1/20 0.40
NTRK1 P04629 1/20 0.40

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
SCHEMBL298714 0.99 PAK1 (0.43) PAK1AAK1TBXAS1AXLJAK3
SCHEMBL296763 0.87 CYP2C9 (0.42) PAK1AAK1TBXAS1AXLJAK3
SCHEMBL298715 0.86 CYP2C9 (0.42) PAK1AAK1TBXAS1AXLAURKA
SCHEMBL298745 0.84 CAMKK2 (0.52) PAK1AAK1AXLJAK3CDC7
SCHEMBL3698939 0.82 PIK3CA (0.49) AAK1TBXAS1NTRK1DYRK1AMAP2K4
SCHEMBL299488 0.81 PAK1 (0.54) PAK1AAK1PAK4TNIK
SCHEMBL298747 0.80 PAK1 (0.47) PAK1AAK1PLK4AURKAABL1
SCHEMBL298554 0.80 BTK (0.45) PAK1AAK1NTRK1NEK2MAP2K4
SCHEMBL298501 0.80 MAP2K4 (0.46) PAK1AAK1EGFRNEK2ROCK1
SCHEMBL3714332 0.80 JAK3 (0.40) PAK1AAK1TBXAS1AXLJAK3

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 6 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
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 PAK1 290/4885AAK1 247/4885TBXAS1 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.