SCHEMBL45695

SCHEMBL45695

CS(=O)(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 5/20 0.56
ALDH1A1 P00352 5/20 0.56
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
CDC25B P30305 1/20 0.43
ELANE P08246 1/20 0.40
BCL2 P10415 1/20 0.38
MCL1 Q07820 1/20 0.38
RAB9A P51151 5/20 0.37
MAPT P10636 4/20 0.37
HTT P42858 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
LMNA P02545 3/20 0.37
APAF1 O14727 2/20 0.37
MITF O75030 1/20 0.37
NPC1 O15118 4/20 0.37
MAPK1 P28482 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
PLA2G1B P04054 2/20 0.37
ATG4B Q9Y4P1 2/20 0.37

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
SCHEMBL45598 0.82 S100A4 (0.46) STAT3ALDH1A1USP8USP7S100A4
SCHEMBL45711 0.82 PTGS2 (0.39) STAT3ALDH1A1USP8USP7
SCHEMBL45647 0.78 STAT3 (0.47) STAT3ALDH1A1KMT2AMEN1CDC25B
SCHEMBL15024250 0.78 ALDH1A1 (0.48) STAT3ALDH1A1KMT2AMEN1ELANE
SCHEMBL6577994 0.76 STAT3 (0.61) STAT3ALDH1A1KMT2AMEN1CDC25B
SCHEMBL15026353 0.74 ALDH1A1 (0.44) STAT3ALDH1A1KMT2AMEN1CDC25B
SCHEMBL1887185 0.73 STAT3 (0.69) STAT3ALDH1A1KMT2AMEN1CDC25B
SCHEMBL30422 0.73 STAT3 (0.57) STAT3ALDH1A1KMT2AMEN1CDC25B
SCHEMBL29365382 0.73 STAT3 (0.69) STAT3ALDH1A1KMT2AMEN1CDC25B
SCHEMBL28705 0.72 STAT3 (0.56) STAT3ALDH1A1KMT2AMEN1CDC25B

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017079864-A1 TREATMENT OF CANCERS RELATED TO CHRONICALLY ACTIVE RAS HANGZHOU YIER BIOTECH CO., LTD. (CN) 2017-05-18 WO disclosed
US-9150530-B2 Esters of 4, 9-dihydroxy-naphtho [2, 3-b] furans for disease therapies ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2015-10-06 US disclosed
US-9150530-B2 Esters of 4, 9-dihydroxy-naphtho [2, 3-b] furans for disease therapies ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2015-10-06 US disclosed
US-9150530-B2 Esters of 4, 9-dihydroxy-naphtho [2, 3-b] furans for disease therapies ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2015-10-06 US disclosed
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-8871802-B2 Naphthoquinones for disease therapies ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2014-10-28 US disclosed
EP-2681203-A1 NOVEL ESTERS OF 4,9-DIHYDROXY-NAPHTHO[2,3-b]FURANS FOR DISEASE THERAPIES Zhoushan Haizhongzhou Xinsheng Pharmaceuticals Co., Ltd. (CN) 2014-01-08 EP disclosed
US-20130345176-A1 NOVEL ESTERS OF 4, 9-DIHYDROXY-NAPHTHO [2, 3-b] FURANS FOR DISEASE THERAPIES ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2013-12-26 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
US-20130150437-A1 NAPHTHOQUINONES FOR DISEASE THERAPIES ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2013-06-13 US disclosed
WO-2012119265-A1 NOVEL ESTERS OF 4,9-DIHYDROXY-NAPHTHO[2,3-b]FURANS FOR DISEASE THERAPIES ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2012-09-13 WO disclosed
WO-2012119265-A1 NOVEL ESTERS OF 4,9-DIHYDROXY-NAPHTHO[2,3-b]FURANS FOR DISEASE THERAPIES ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2012-09-13 WO 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 (2 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-20130345176-A1 NOVEL ESTERS OF 4, 9-DIHYDROXY-NAPHTHO [2, 3-b] FURANS FOR DISEASE THERAPIES CYP46A1, HSD3B2, HSD3B1 STAT3 3344/4885ALDH1A1 114/4885KMT2A 2811/4885
US-20130150437-A1 NAPHTHOQUINONES FOR DISEASE THERAPIES NQO1, NME2, CYP27B1 STAT3 1764/4885ALDH1A1 282/4885KMT2A 2722/4885

“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.