SCHEMBL4239804

SCHEMBL4239804

Nc1nc2cc(S(=O)(=O)c3ccccc3)cc(C(=O)Nc3ncc[nH]3)c2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGES O14684 7/20 0.37
NAMPT P43490 4/20 0.36
HPGDS O60760 1/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.35
SLC16A1 P53985 1/20 0.35
PDE4B Q07343 1/20 0.34

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
SCHEMBL4239799 0.88 NAMPT (0.38) PTGESNAMPTHPGDSPOLBLMNA
SCHEMBL4243624 0.87 PTGES (0.39) PTGESHPGDSPOLBLMNAKDM4E
SCHEMBL4239815 0.87 PIK3CA (0.39) LMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL4234934 0.85 PTGES (0.40) PTGESHPGDSPOLBLMNAKDM4E
SCHEMBL4248492 0.85 PRKCI (0.39) PTGESHPGDSLMNASMN1; SMN2
SCHEMBL1202096 0.82 POLB (0.38) PTGESNAMPTHPGDSPOLBLMNA
SCHEMBL4240655 0.81 PTGES (0.37) PTGESHPGDSPOLB
SCHEMBL4242577 0.80 HPGDS (0.41) PTGESHPGDSTDP1
SCHEMBL4243793 0.80 PTGES (0.43) PTGESHPGDS
SCHEMBL4247706 0.80 ALDH1A1 (0.43) PTGESNAMPTPOLBKDM4EALDH1A1

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 5 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
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 PTGES 2022/4885NAMPT 842/4885HPGDS 2231/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP PTGES 2022/4885NAMPT 842/4885HPGDS 2231/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP PTGES 2022/4885NAMPT 842/4885HPGDS 2231/4885

“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.