SCHEMBL4242375

SCHEMBL4242375

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.51
MAPK8 P45983 7/20 0.45
MAPK9 P45984 7/20 0.45
MAPK10 P53779 5/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA4 P22748 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
CYP2C9 P11712 1/20 0.44
NAMPT P43490 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PRKD3 O94806 1/20 0.42
MAPK1 P28482 1/20 0.42
PRKD2 Q9BZL6 1/20 0.42
MAPT P10636 1/20 0.41
TACR3 P29371 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
SCHEMBL4242380 0.89 MAPK8 (0.49) MMP13MAPK8MAPK9MAPK10CA12
SCHEMBL4239231 0.84 KDM4E (0.50) MMP13MAPK8MAPK9MAPK10CA1
SCHEMBL4234885 0.84 ELANE (0.47) MAPK8MAPK9MAPK10CYP2C9NAMPT
SCHEMBL4241742 0.80 PDE4B (0.46) MMP13MAPK8MAPK9MAPK10CA12
SCHEMBL4235900 0.80 MAPK8 (0.46) MMP13MAPK8MAPK9MAPK10CA1
SCHEMBL4239186 0.78 HPGD (0.50) MMP13MEN1KMT2AMAPTALDH1A1
SCHEMBL1200997 0.78 MMP13 (0.43) MMP13MAPK8MAPK9MAPK10CYP2C9
SCHEMBL4246321 0.77 HPGD (0.58) MMP13KMT2AALDH1A1
SCHEMBL4234834 0.76 MAPK8 (0.50) MAPK8MAPK9MAPK10CYP2C9NAMPT
SCHEMBL4241181 0.75 KMT2A (0.54) CA12CA1CA2CA4CA5A

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

“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.