SCHEMBL45660

SCHEMBL45660

C[S+]([O-])c1cc2c(o1)C(=O)c1cc(F)ccc1C2=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MALT1 Q9UDY8 1/20 0.34
PTGS2 P35354 1/20 0.33
PGR P06401 1/20 0.32
USP8 P40818 1/20 0.32
USP7 Q93009 1/20 0.32
USP47 Q96K76 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
USP1 O94782 1/20 0.31
USP19 O94966 1/20 0.31
UCHL3 P15374 1/20 0.31
PARK7 Q99497 1/20 0.31
ELANE P08246 1/20 0.30
PTPN1 P18031 1/20 0.30

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
SCHEMBL45738 0.83 ALDH1A1 (0.33) STAT3ALDH1A1MALT1USP8USP7
SCHEMBL45659 0.83 ALDH1A1 (0.33) STAT3ALDH1A1MALT1USP8USP7
SCHEMBL45638 0.83 ALDH1A1 (0.53) STAT3ALDH1A1USP8USP7CYP1A2
SCHEMBL45824 0.83 S100A4 (0.43) STAT3ALDH1A1PTGS2USP8USP7
SCHEMBL15024389 0.82 ELANE (0.35) STAT3ALDH1A1MALT1PTGS2PGR
SCHEMBL19668949 0.76 STAT3 (0.41) STAT3ALDH1A1MALT1PTGS2PGR
SCHEMBL3715764 0.75 STAT3 (0.54) STAT3ALDH1A1MALT1PTGS2PGR
SCHEMBL1881893 0.74 STAT3 (0.69) STAT3ALDH1A1MALT1CA1CA2
SCHEMBL12640078 0.74 ALDH1A1 (0.39) STAT3ALDH1A1MALT1PTGS2PGR
SCHEMBL29364953 0.74 STAT3 (0.69) STAT3ALDH1A1MALT1CA1CA2

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 STAT3 1764/4885ALDH1A1 282/4885MALT1 21/4885

“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.