SCHEMBL29566

SCHEMBL29566

CC(=O)c1ccc(Cl)cc1CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
CXCL8 P10145 1/20 0.44
CYP2C9 P11712 1/20 0.44
CHRM1 P11229 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.41
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL1022607 0.85 SMN1; SMN2 (0.57) KEAP1NFE2L2CXCL8CYP2C9CHRM1
SCHEMBL27780337 0.84 KEAP1 (0.49) KEAP1NFE2L2CXCL8CYP2C9CHRM1
SCHEMBL10290473 0.83 HSD17B1 (0.56) SMN1; SMN2TSHRCASP1L3MBTL1MEN1
SCHEMBL16041940 0.79 KEAP1 (0.54) KEAP1NFE2L2CXCL8CYP2C9CHRM1
SCHEMBL3632865 0.78 KEAP1 (0.50) KEAP1NFE2L2CXCL8CYP2C9CHRM1
SCHEMBL2578143 0.77 CXCL8 (0.57) KEAP1NFE2L2CXCL8CYP2C9CHRM1
SCHEMBL29497752 0.77 CXCL8 (0.57) KEAP1NFE2L2CXCL8CYP2C9CHRM1
SCHEMBL2558133 0.76 HSD17B10 (0.66) MAPTPOLBALDH1A1KDM4EMAPK1
SCHEMBL27310825 0.76 FLT1 (0.44) SMN1; SMN2TSHRCASP1MEN1KMT2A
Hydrochloric Acid SCHEMBL1373062 0.76 CXCL8 (0.55) KEAP1NFE2L2CXCL8CYP2C9CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10851075-B2 Stat3 pathway inhibitors and cancer stem cell inhibitors SUMITOMO DAINIPPON PHARMA ONCOLOGY, INC. (US) 2020-12-01 US disclosed
US-20190263768-A1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS BOSTON BIOMEDICAL, INC. 2019-08-29 US disclosed
EP-3058941-B1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS BOSTON BIOMEDICAL INC (US) 2019-05-22 EP disclosed
US-9834532-B2 Stat3 pathway inhibitors and cancer stem cell inhibitors BOSTON BIOMEDICAL, INC. (US) 2017-12-05 US disclosed
US-20170197932-A1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS BOSTON BIOMEDICAL INC (US) 2017-07-13 US disclosed
EP-3058941-A1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS Boston Biomedical, Inc. (US) 2016-08-24 EP disclosed
EP-2194987-B1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS BOSTON BIOMEDICAL INC (US) 2016-05-18 EP disclosed
US-8877803-B2 Stat3 pathway inhibitors and cancer stem cell inhibitors BOSTON BIOMEDICAL, INC. (US) 2014-11-04 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
WO-2012024818-A1 NOVEL ANPHTHOQUINONES FOR DISEASE THERAPIES ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2012-03-01 WO disclosed
US-20110112180-A1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS BOSTON BIOMEDICAL, INC. (US) 2011-05-12 US disclosed
EP-2194987-A2 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS Boston Biomedical, Inc. (US) 2010-06-16 EP disclosed
WO-2009036059-A2 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS BOSTON BIOMEDICAL, INC. (US) 2009-03-19 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 (5 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-20110112180-A1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS STAT3, STAT1, STAT5B KEAP1 313/4885NFE2L2 91/4885CXCL8 1536/4885
US-20170197932-A1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS STAT3, STAT1, JAK2 KEAP1 336/4885NFE2L2 82/4885CXCL8 1520/4885
US-10851075-B2 Stat3 pathway inhibitors and cancer stem cell inhibitors STAT3, STAT1, JAK2 KEAP1 221/4885NFE2L2 65/4885CXCL8 1686/4885
US-20190263768-A1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS STAT3, STAT1, STAT5B KEAP1 313/4885NFE2L2 91/4885CXCL8 1536/4885
US-20130150437-A1 NAPHTHOQUINONES FOR DISEASE THERAPIES NQO1, NME2, CYP27B1 KEAP1 12/4885NFE2L2 5/4885CXCL8 1563/4885

“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.