SCHEMBL45711

SCHEMBL45711

CS(=O)(=O)c1cc2c(o1)C(=O)c1cc(F)ccc1C2=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.39
ALDH1A1 P00352 1/20 0.39
STAT3 P40763 1/20 0.39
MALT1 Q9UDY8 1/20 0.35
PTGS1 P23219 3/20 0.34
USP8 P40818 1/20 0.33
USP7 Q93009 1/20 0.33
USP47 Q96K76 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
PGR P06401 1/20 0.33

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
SCHEMBL45702 0.82 MAPT (0.38) PTGS2ALDH1A1STAT3
SCHEMBL15026352 0.82 USP8 (0.35) PTGS2ALDH1A1STAT3MALT1USP8
SCHEMBL45695 0.82 STAT3 (0.56) ALDH1A1STAT3USP8USP7
SCHEMBL45598 0.82 S100A4 (0.46) PTGS2ALDH1A1STAT3PTGS1USP8
SCHEMBL15024455 0.81 TLR9 (0.38) PTGS2ALDH1A1CA2
SCHEMBL19668949 0.78 STAT3 (0.41) PTGS2ALDH1A1STAT3MALT1USP8
SCHEMBL3715764 0.77 STAT3 (0.54) PTGS2ALDH1A1STAT3MALT1USP8
SCHEMBL1881893 0.76 STAT3 (0.69) ALDH1A1STAT3MALT1CA1CA2
SCHEMBL12640078 0.76 ALDH1A1 (0.39) PTGS2ALDH1A1STAT3MALT1USP8
SCHEMBL29364953 0.76 STAT3 (0.69) ALDH1A1STAT3MALT1CA1CA2

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-8871802-B2 Naphthoquinones for disease therapies ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2014-10-28 US disclosed
US-8871802-B2 Naphthoquinones for disease therapies ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2014-10-28 US disclosed
US-20130150437-A1 NAPHTHOQUINONES FOR DISEASE THERAPIES ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2013-06-13 US disclosed
US-20130150437-A1 NAPHTHOQUINONES FOR DISEASE THERAPIES ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2013-06-13 US disclosed
WO-2012024818-A1 NOVEL ANPHTHOQUINONES FOR DISEASE THERAPIES ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2012-03-01 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 (1 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-20130150437-A1 NAPHTHOQUINONES FOR DISEASE THERAPIES NQO1, NME2, CYP27B1 PTGS2 318/4885ALDH1A1 282/4885STAT3 1764/4885

“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.