SCHEMBL4242380

SCHEMBL4242380

COc1cc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)c2[nH]c(N)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 14/20 0.49
MAPK9 P45984 13/20 0.49
MMP13 P45452 1/20 0.48
MAPK10 P53779 10/20 0.47
CYP2C9 P11712 1/20 0.46
NAMPT P43490 1/20 0.46
PRKD3 O94806 2/20 0.45
MAPK1 P28482 2/20 0.45
PRKD2 Q9BZL6 2/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
CHRM4 P08173 1/20 0.43
DYRK3 O43781 1/20 0.43
JUN P05412 1/20 0.43
CSF1R P07333 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
SCHEMBL4242375 0.89 MMP13 (0.51) MAPK8MAPK9MMP13MAPK10CYP2C9
SCHEMBL4234886 0.83 ELANE (0.48) MAPK8MAPK9MAPK10CYP2C9NAMPT
SCHEMBL4239238 0.83 MEN1 (0.49) MAPK8MAPK9MAPK10CYP2C9NAMPT
SCHEMBL1200997 0.79 MMP13 (0.43) MAPK8MAPK9MMP13MAPK10CYP2C9
SCHEMBL4241746 0.79 PDE4B (0.47) MAPK8MAPK9MAPK10CYP2C9NAMPT
SCHEMBL4235903 0.79 MAPK8 (0.45) MAPK8MAPK9MMP13MAPK10CYP2C9
SCHEMBL4239188 0.77 HPGD (0.52)
SCHEMBL4246325 0.76 HPGD (0.64) MMP13
SCHEMBL4234837 0.75 MAPK8 (0.50) MAPK8MAPK9MAPK10CYP2C9NAMPT
SCHEMBL4241186 0.73 KMT2A (0.55) CYP2C9NAMPTCA12CA1CA2

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-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-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
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 US 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 MAPK8 4603/4885MAPK9 3960/4885MMP13 403/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP MAPK8 4603/4885MAPK9 3960/4885MMP13 403/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP MAPK8 4603/4885MAPK9 3960/4885MMP13 403/4885

“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.