SCHEMBL4239537

SCHEMBL4239537

CS(=O)(=O)c1ccc(CNC(=O)c2cccc3[nH]c(C(N)=O)nc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.49
RPS6KB1 P23443 1/20 0.49
NAMPT P43490 2/20 0.48
CYP2C9 P11712 1/20 0.48
PARP1 P09874 6/20 0.47
CNR2 P34972 1/20 0.47
CCR1 P32246 2/20 0.45
MAPK8 P45983 2/20 0.44
MAPK9 P45984 2/20 0.44
MAPK10 P53779 2/20 0.44
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 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
SCHEMBL4239542 0.87 CYP2C9 (0.49) AURKARPS6KB1NAMPTCYP2C9PARP1
SCHEMBL4248691 0.83 CYP2C9 (0.46) AURKARPS6KB1NAMPTCYP2C9MAPK8
SCHEMBL4248493 0.83 CYP2C9 (0.46) AURKARPS6KB1NAMPTCYP2C9CCR1
SCHEMBL4239382 0.82 NAMPT (0.52) NAMPTCYP2C9MAPK8MAPK9MAPK10
SCHEMBL4238070 0.81 PARP1 (0.46) PARP1HSD17B10
SCHEMBL4244492 0.80 MAPK8 (0.50) NAMPTCYP2C9MAPK8MAPK9MAPK10
SCHEMBL4239912 0.80 MAPK8 (0.50) AURKARPS6KB1NAMPTCYP2C9MAPK8
SCHEMBL4241742 0.78 PDE4B (0.46) AURKARPS6KB1NAMPTCYP2C9CCR1
SCHEMBL4248322 0.78 CSNK2A1 (0.53) RPS6KB1PARP1MAPK9CA1CA2
SCHEMBL27698769 0.78 CCR1 (0.47) AURKARPS6KB1NAMPTCYP2C9CCR1

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 AURKA 2588/4885RPS6KB1 3357/4885NAMPT 842/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP AURKA 2588/4885RPS6KB1 3357/4885NAMPT 842/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP AURKA 2588/4885RPS6KB1 3357/4885NAMPT 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.