SCHEMBL45598

SCHEMBL45598

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.46
HSP90AA1 P07900 1/20 0.41
ALDH1A1 P00352 1/20 0.39
STAT3 P40763 1/20 0.39
PTGS2 P35354 5/20 0.38
ITGA1 P56199 1/20 0.37
PPOX P50336 1/20 0.35
CCR2 P41597 2/20 0.35
PTGS1 P23219 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
USP8 P40818 2/20 0.33
USP7 Q93009 2/20 0.33
USP47 Q96K76 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
SCHEMBL45695 0.82 STAT3 (0.56) S100A4ALDH1A1STAT3USP8USP7
SCHEMBL45711 0.82 PTGS2 (0.39) ALDH1A1STAT3PTGS2PTGS1USP8
SCHEMBL12640076 0.76 S100A4 (0.46) S100A4HSP90AA1ALDH1A1STAT3ITGA1
SCHEMBL1882564 0.76 STAT3 (0.69) S100A4HSP90AA1ALDH1A1STAT3ITGA1
SCHEMBL29365255 0.76 STAT3 (0.69) S100A4HSP90AA1ALDH1A1STAT3ITGA1
SCHEMBL4229683 0.74 S100A4 (0.80) S100A4HSP90AA1ALDH1A1ITGA1PPOX
SCHEMBL353693 0.74 S100A4 (0.80) S100A4HSP90AA1ALDH1A1ITGA1PPOX
SCHEMBL45824 0.74 S100A4 (0.43) S100A4HSP90AA1ALDH1A1STAT3PTGS2
SCHEMBL4319897 0.70 S100A4 (0.71) S100A4HSP90AA1ITGA1PPOXUSP8
SCHEMBL29581505 0.70 S100A4 (0.71) S100A4HSP90AA1ITGA1PPOXUSP8

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 S100A4 2159/4885HSP90AA1 1319/4885ALDH1A1 282/4885

“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.