SCHEMBL4241746

SCHEMBL4241746

COc1ccc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)c2[nH]c(N)nc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.47
CYP2C9 P11712 1/20 0.44
NAMPT P43490 1/20 0.44
MAPK8 P45983 15/20 0.44
MAPK9 P45984 14/20 0.44
MAPK10 P53779 12/20 0.44
PRKD3 O94806 2/20 0.44
MAPK1 P28482 2/20 0.44
PRKD2 Q9BZL6 2/20 0.44
DYRK3 O43781 1/20 0.44
JUN P05412 1/20 0.44
CSF1R P07333 1/20 0.44
RPS27 P42677 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
EPHX2 P34913 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL4241742 0.88 PDE4B (0.46) PDE4BCYP2C9NAMPTMAPK8MAPK9
SCHEMBL4235903 0.82 MAPK8 (0.45) PDE4BCYP2C9NAMPTMAPK8MAPK9
SCHEMBL4234837 0.79 MAPK8 (0.50) CYP2C9NAMPTMAPK8MAPK9MAPK10
SCHEMBL4242380 0.79 MAPK8 (0.49) CYP2C9NAMPTMAPK8MAPK9MAPK10
SCHEMBL1201673 0.78 HDAC3 (0.41) PDE4BCYP2C9NAMPTMAPK8MAPK9
SCHEMBL4239542 0.77 CYP2C9 (0.49) CYP2C9NAMPTMAPK8MAPK9MAPK10
SCHEMBL4248496 0.73 CYP2C9 (0.48) CYP2C9NAMPTMAPK8MAPK9MAPK10
SCHEMBL4248697 0.73 CYP2C9 (0.48) CYP2C9NAMPTMAPK8MAPK9MAPK10
SCHEMBL4234886 0.73 ELANE (0.48) CYP2C9NAMPTMAPK8MAPK9MAPK10
SCHEMBL4235900 0.73 MAPK8 (0.46) PDE4BCYP2C9NAMPTMAPK8MAPK9

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946259-B2 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2015-02-03 US disclosed
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2014-03-06 US disclosed
US-8598353-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2013-12-03 US disclosed
EP-1863771-B1 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS LLC (US) 2012-11-07 EP disclosed
EP-2457901-A1 Benzazole derivatives, compositions, and methods of use as B-secretase inhibitors High Point Pharmaceuticals, LLC (US) 2012-05-30 EP disclosed
US-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 US disclosed
EP-1863771-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS Transtech Pharma, Inc. (US) 2007-12-12 EP disclosed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 US disclosed
WO-2006099379-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2006-09-21 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 (3 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-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP PDE4B 1019/4885CYP2C9 739/4885NAMPT 842/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP PDE4B 1019/4885CYP2C9 739/4885NAMPT 842/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP PDE4B 1019/4885CYP2C9 739/4885NAMPT 842/4885

“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.