SCHEMBL5999780

SCHEMBL5999780

COc1ccc(C(=O)c2cc3c(s2)C(=O)c2ccccc2C3=O)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
POLB P06746 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
GAA P10253 2/20 0.49
NPC1 O15118 2/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 2/20 0.46
HCRTR1 O43613 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43

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
SCHEMBL6000957 0.85 MAPT (0.48) MAPTPOLBLMNASMN1; SMN2NPC1
SCHEMBL6001534 0.80 MAPK14 (0.48) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6001745 0.79 BCL2 (0.45) MAPTPOLBCYP3A4TSHRLMNA
SCHEMBL6001053 0.79 DYRK1A (0.47) MAPTLMNASMN1; SMN2NPC1HTT
SCHEMBL20187694 0.75 MEN1 (0.43) MAPTPOLBLMNASMN1; SMN2HTT
SCHEMBL6001071 0.73 STAT3 (0.59) MAPTPOLBCYP1A2CYP3A4CYP2C9
SCHEMBL6001482 0.73 ERO1A (0.47) MAPTPOLBLMNAGAAHTT
SCHEMBL6000950 0.73 STAT3 (0.46) MAPTPOLBLMNASMN1; SMN2NPC1
SCHEMBL6000839 0.72 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL4582366 0.71 POLB (0.56) MAPTPOLBHTTALDH1A1MEN1

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-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
US-20170197932-A1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS BOSTON BIOMEDICAL INC (US) 2017-07-13 US disclosed
US-8877803-B2 Stat3 pathway inhibitors and cancer stem cell inhibitors BOSTON BIOMEDICAL, INC. (US) 2014-11-04 US disclosed
US-8877803-B2 Stat3 pathway inhibitors and cancer stem cell inhibitors BOSTON BIOMEDICAL, INC. (US) 2014-11-04 US disclosed
US-20110112180-A1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS BOSTON BIOMEDICAL, INC. (US) 2011-05-12 US disclosed
US-20110112180-A1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS BOSTON BIOMEDICAL, INC. (US) 2011-05-12 US disclosed
US-20060142271-A1 Novel lapacho compounds and methods of use thereof MUNSTER, UNIVERSITY OF (DE) 2006-06-29 US disclosed
EP-1551392-A2 NOVEL LAPACHO COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2005-07-13 EP disclosed
WO-2004026253-A2 NOVEL LAPACHO COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2004-04-01 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 (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-20060142271-A1 Novel lapacho compounds and methods of use thereof XIAP, PIN1, NQO1 MAPT 3494/4885POLB 1759/4885CYP1A2 1670/4885
US-20110112180-A1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS STAT3, STAT1, STAT5B MAPT 4328/4885POLB 2740/4885CYP1A2 4319/4885
US-20170197932-A1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS STAT3, STAT1, JAK2 MAPT 4275/4885POLB 2786/4885CYP1A2 4296/4885
US-10851075-B2 Stat3 pathway inhibitors and cancer stem cell inhibitors STAT3, STAT1, JAK2 MAPT 4350/4885POLB 2570/4885CYP1A2 4259/4885
US-20190263768-A1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS STAT3, STAT1, STAT5B MAPT 4328/4885POLB 2740/4885CYP1A2 4319/4885

“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.