SCHEMBL29544

SCHEMBL29544

CC1=CCc2cc(Cl)ccc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.39
HTT P42858 1/20 0.39
PGR P06401 1/20 0.39
SRD5A1 P18405 9/20 0.37
SRD5A2 P31213 4/20 0.37
HSD11B1 P28845 1/20 0.36
S100A4 P26447 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
CYP3A4 P08684 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL25906851 0.83 F7 (0.38) METAP1PGRSRD5A1SRD5A2S100A4
SCHEMBL31164686 0.80 HTT (0.44) METAP1HTTPGRSRD5A1SRD5A2
SCHEMBL21694411 0.78 METAP1 (0.41) METAP1HTTSRD5A1HTR2AHTR2C
SCHEMBL29427206 0.78 METAP1 (0.41) METAP1HTTSRD5A1HTR2AHTR2C
SCHEMBL2963487 0.75 METAP1 (0.39) METAP1PGRSRD5A1SRD5A2S100A4
SCHEMBL19957253 0.72 CD44 (0.38) CYP3A4LMNA
SCHEMBL29248715 0.72 MPO (0.47) METAP1CYP3A4
SCHEMBL3870099 0.71 METAP1 (0.36) METAP1HTTSRD5A1SRD5A2S100A4
SCHEMBL6826934 0.69 KDM4E (0.46) SRD5A1SRD5A2HTR2CHTR2BLMNA
SCHEMBL308273 0.69 HTR6 (0.40)

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 19 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
CN-103153975-B Novel naphthoquinones for use in the treatment of disease Hangzhou Yier Biological Technology Co.,Ltd. (CN) 2016-01-20 CN 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
CN-103288787-A Novel STAT3 pathway inhibitors and cancer stem cell inhibitors BOSTON BIOMEDICAL INC 2013-09-11 CN disclosed
US-20130150437-A1 NAPHTHOQUINONES FOR DISEASE THERAPIES ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2013-06-13 US disclosed
CN-103153975-A Novel naphthoquinones for use in the treatment of disease ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO LTD 2013-06-12 CN disclosed
CN-101854937-B Novel stat3 pathway inhibitors and cancer stem cell inhibitors BOSTON BIOMEDICAL INC 2013-03-27 CN 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
CN-101854937-A Novel stat3 pathway inhibitors and cancer stem cell inhibitors BOSTON BIOMEDICAL INC 2010-10-06 CN 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 METAP1 3024/4885HTT 3582/4885PGR 2658/4885
US-20170197932-A1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS STAT3, STAT1, JAK2 METAP1 3097/4885HTT 3688/4885PGR 2621/4885
US-10851075-B2 Stat3 pathway inhibitors and cancer stem cell inhibitors STAT3, STAT1, JAK2 METAP1 2922/4885HTT 3729/4885PGR 2614/4885
US-20190263768-A1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS STAT3, STAT1, STAT5B METAP1 3024/4885HTT 3582/4885PGR 2658/4885
US-20130150437-A1 NAPHTHOQUINONES FOR DISEASE THERAPIES NQO1, NME2, CYP27B1 METAP1 4105/4885HTT 626/4885PGR 372/4885

“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.