SCHEMBL7019037

SCHEMBL7019037

COC(C)OCN(c1onc(C)c1Cl)S(=O)(=O)c1c(C(=O)CCc2ccc3c(c2)OCO3)sc2ncccc12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 11/20 0.41
EDNRB P24530 8/20 0.41
TSHR P16473 3/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ABCC3 O15438 1/20 0.35
ABCC4 O15439 1/20 0.35
ABCB11 O95342 1/20 0.35
PDE4A P27815 1/20 0.35
POLB P06746 1/20 0.34
ESR2 Q92731 1/20 0.34
CHRM4 P08173 1/20 0.34
MAPT P10636 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
SCHEMBL7019034 0.89 EDNRA (0.42) EDNRAEDNRBTSHRALDH1A1MEN1
SCHEMBL7014366 0.89 EDNRA (0.39) EDNRAEDNRBTSHRALDH1A1MEN1
SCHEMBL7021457 0.88 EDNRA (0.41) EDNRAEDNRBTSHRALDH1A1MEN1
SCHEMBL7021755 0.88 TSHR (0.38) EDNRAEDNRBTSHRALDH1A1MEN1
SCHEMBL7019029 0.86 EDNRA (0.41) EDNRAEDNRBTSHRALDH1A1MEN1
SCHEMBL7019253 0.82 EDNRA (0.37) EDNRAEDNRBTSHRALDH1A1ABCC3
SCHEMBL7023506 0.82 EDNRA (0.42) EDNRAEDNRBTSHRALDH1A1MEN1
SCHEMBL7016595 0.79 EDNRA (0.59) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL7021453 0.78 EDNRA (0.41) EDNRAEDNRBTSHRALDH1A1MEN1
SCHEMBL7014363 0.78 EDNRA (0.40) EDNRAEDNRBTSHRALDH1A1MEN1

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 8 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
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 EDNRA 2/4885EDNRB 1/4885TSHR 19/4885
US-20010014684-A1 THIENO-PYRIDINE SULFONAMIDES DERIVATIVES THEREOF AND RELATED COMPOUNDS THAT MODULATE THE ACTIVITY OF ENDOTHELIN EDNRB, EDNRA, AGTR1 EDNRA 2/4885EDNRB 1/4885TSHR 21/4885

“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.