SCHEMBL4876757

SCHEMBL4876757

CCOC(=O)C=Cc1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.52
BACE1 P56817 1/20 0.49
LMNA P02545 2/20 0.49
ALDH1A1 P00352 3/20 0.47
RAB9A P51151 1/20 0.47
PTGS2 P35354 1/20 0.46
FBP1 P09467 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TTR P02766 1/20 0.43
DPP4 P27487 1/20 0.43
ESR1 P03372 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
SCHEMBL4876750 1.00 STAT3 (0.52) STAT3BACE1LMNAALDH1A1RAB9A
SCHEMBL2536457 0.87 STAT3 (0.54) STAT3LMNAALDH1A1RAB9APTGS2
SCHEMBL2536459 0.87 STAT3 (0.54) STAT3LMNAALDH1A1RAB9APTGS2
SCHEMBL1013073 0.86 STAT3 (0.53) STAT3LMNAALDH1A1RAB9APTGS2
SCHEMBL1013072 0.86 STAT3 (0.53) STAT3LMNAALDH1A1RAB9APTGS2
SCHEMBL9377330 0.85 BACE1 (0.49) STAT3BACE1LMNAALDH1A1RAB9A
SCHEMBL9542727 0.85 BACE1 (0.49) STAT3BACE1LMNAALDH1A1RAB9A
SCHEMBL5093403 0.85 STAT3 (0.49) STAT3BACE1LMNAALDH1A1RAB9A
SCHEMBL24358978 0.85 STAT3 (0.52) STAT3LMNAALDH1A1RAB9APTGS2
SCHEMBL4956345 0.85 STAT3 (0.52) STAT3BACE1LMNAALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765768-B1 SUBSTITUTED ACIDS FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2013-11-06 EP disclosed
US-20080114002-A1 Substituted Acids for the Treatment of Respiratory Diseases ASTRAZENECA AB (SE) 2008-05-15 US disclosed
EP-1045833-B1 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER (US) 2005-11-02 EP disclosed
US-20050227978-A1 Fibrosis inhibitor SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2005-10-13 US disclosed
EP-1479384-A1 FIBROSIS INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-11-24 EP disclosed
US-20040209939-A1 Pyrrole derivatives SUMITOMO PHARMACEUTICALS CO., LTD. 2004-10-21 US disclosed
US-6759429-B2 HAVING TRANSFORMING GROWTH FACTOR- BETA INHIBITORY ACTIVITY AND BEING USEFUL AS FIBROSIS INHIBITORS FOR ORGANS OR TISSUES SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2004-07-06 US disclosed
US-20030181496-A1 Pyrrole derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2003-09-25 US disclosed
US-6608070-B1 Useful for treatment of medical condition in which prostaglandins are implicated as pathogens NAKAO KAZUNARI (JP) 2003-08-19 US disclosed
EP-1310485-A1 PYRROLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-05-14 EP 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 (4 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-20050227978-A1 Fibrosis inhibitor SMAD3, MMP1, SMAD2 STAT3 108/4885BACE1 2932/4885LMNA 4536/4885
US-20030181496-A1 Pyrrole derivatives NCOA1, PKD1, NR3C2 STAT3 102/4885BACE1 3915/4885LMNA 4453/4885
US-20080114002-A1 Substituted Acids for the Treatment of Respiratory Diseases HRH2, HRH1, HRH4 STAT3 3990/4885BACE1 2744/4885LMNA 1920/4885
US-20040209939-A1 Pyrrole derivatives NCOA1, PKD1, NCOR1 STAT3 110/4885BACE1 3896/4885LMNA 4564/4885

“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.