SCHEMBL7023665

SCHEMBL7023665

COCCOCN(c1onc(C)c1Cl)S(=O)(=O)c1c(Cc2c(OC)cccc2OC)sc2ncccc12

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
EDNRA P25101 1/20 0.30

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
SCHEMBL7021347 0.87 KDM4E (0.33) ALDH1A1CYP1A2POLBCYP2C9CYP2C19
SCHEMBL7023672 0.87 ALDH1A1 (0.35) ALDH1A1EDNRA
SCHEMBL7023999 0.86 EDNRA (0.37) ALDH1A1KMT2AEDNRA
SCHEMBL7019247 0.85 EDNRA (0.38) POLBKMT2AEDNRA
SCHEMBL7015012 0.85 ALDH1A1 (0.34) ALDH1A1KMT2A
SCHEMBL7021753 0.83 EDNRA (0.38) ALDH1A1KMT2ANPSR1EDNRA
SCHEMBL7023504 0.79 EDNRA (0.44) POLBKMT2AEDNRA
SCHEMBL7021402 0.78 EDNRA (0.34) ALDH1A1EDNRA
SCHEMBL7022948 0.78 EDNRA (0.35) ALDH1A1CYP1A2POLBCYP2C9CYP2C19
SCHEMBL7016215 0.78 EDNRA (0.45) EDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0898571-B1 THIENO-PYRIDINE SULFONAMIDES, DERIVATIVES THEREOF AND RELATED COMPOUNDS THAT MODULATE THE ACTIVITY OF ENDOTHELIN ENCYSIVE PHARMACEUTICALS INC (US) 2003-11-19 EP disclosed
US-6545014-B2 Glaucoma; adjusting concentration of nitric oxide; hypotensive, antispasmodic, antiischemic, cardiotonic agents; bronchodilators; urogentital disorders; agonists, antagonists for endothelin receptors TEXAS BIOTECHNOLOGY CORPORATION 2003-04-08 US disclosed
US-20020028829-A1 Thieno-pyridine sulfonamides derivatives thereof and related compounds that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC. 2002-03-07 US disclosed
US-6329387-B2 ANTIHISTAMINE, ANTIINFLAMMATORY AGENTS, VISION DEFECTS TEXAS BIOTECHNOLOGY CORPORATION. 2001-12-11 US disclosed
US-20010014684-A1 THIENO-PYRIDINE SULFONAMIDES DERIVATIVES THEREOF AND RELATED COMPOUNDS THAT MODULATE THE ACTIVITY OF ENDOTHELIN ENCYSIVE PHARMACEUTICALS INC. 2001-08-16 US disclosed
US-6013655-A HYPOTENSIVE AGENTS; RESPIRATORY SYSTEM DIISORDERS TEXAS BIOTECHNOLOGY CORPORATION (US) 2000-01-11 US disclosed
EP-0898571-A1 THIENO-PYRIDINE SULFONAMIDES, DERIVATIVES THEREOF AND RELATED COMPOUNDS THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1999-03-03 EP disclosed
US-5804585-A INHIBIT BINDING OF ENDOTHELIN PEPTIDE TO ENDOTHELIN RECEPTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-09-08 US disclosed
WO-1997039000-A1 THIENO-PYRIDINE SULFONAMIDES, DERIVATIVES THEREOF AND RELATED COMPOUNDS THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1997-10-23 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-20020028829-A1 Thieno-pyridine sulfonamides derivatives thereof and related compounds that modulate the activity of endothelin EDNRB, EDNRA, AGTR2 ALDH1A1 4132/4885CYP1A2 1961/4885POLB 4188/4885
US-20010014684-A1 THIENO-PYRIDINE SULFONAMIDES DERIVATIVES THEREOF AND RELATED COMPOUNDS THAT MODULATE THE ACTIVITY OF ENDOTHELIN EDNRB, EDNRA, AGTR1 ALDH1A1 4060/4885CYP1A2 2130/4885POLB 3851/4885

“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.