SCHEMBL7217783

SCHEMBL7217783

COc1ccc(-c2ccc(S(=O)(=O)Nc3cc(C)no3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.65
MAPT P10636 4/20 0.61
FFAR4 Q5NUL3 6/20 0.52
GABRG2 P18507 1/20 0.51
GABRB3 P28472 1/20 0.51
GABRA3 P34903 1/20 0.51
PLAU P00749 1/20 0.50
TP53 P04637 1/20 0.50
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
GFER P55789 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 1/20 0.49
PKM P14618 1/20 0.49
CYTH2 Q99418 1/20 0.49
CYP19A1 P11511 1/20 0.49

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
SCHEMBL7211768 0.89 EDNRA (0.58) EDNRAMAPTPLAUTP53
SCHEMBL7217887 0.86 EDNRA (0.72) EDNRAMAPTFFAR4TP53
SCHEMBL7211761 0.82 EDNRA (0.58) EDNRAMAPTTP53MEN1KMT2A
SCHEMBL7212749 0.81 EDNRA (0.64) EDNRAMAPTTP53
SCHEMBL7211689 0.81 EDNRA (0.64) EDNRAMAPTTP53
SCHEMBL6151676 0.80 EDNRA (0.62) EDNRAMAPTTP53ALDH1A1
SCHEMBL7211420 0.79 EDNRA (0.74) EDNRAMAPTTP53KDM4EGAA
SCHEMBL29659727 0.79 EDNRA (1.00) EDNRAMAPTTP53MEN1KMT2A
SCHEMBL15212188 0.78 BRD4 (0.57) MAPTTP53MEN1GAAKMT2A
SCHEMBL27508434 0.78 EDNRA (0.64) EDNRAMAPTTP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6613804-B2 Treatment of hypertension, cardiovascular disease, pulmonary hypertension, erythropoietin-mediated vasoconstriction, endotoxin shock, pulmonary hypertension, anaphylactic shock and hemorrhagic shock ENCYSIVE PHARMACEUTICALS, INC. 2003-09-02 US disclosed
US-6541498-B2 Antiinflammatory agents, antiasthmatics TEXAS BIOTECHNOLOGY 2003-04-01 US disclosed
US-20020095041-A1 Biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC. 2002-07-18 US disclosed
US-6376523-B1 HYPOTENSIVE AGENTS; ANTIINFLAMMATORY AGENTS; ENDOGENOUS VASOCONSTRUCTION PEPTIDE TEXAS BIOTECHNOLOGY CORPORATION 2002-04-23 US disclosed
US-6342610-B2 COMPOUNDS SUCH AS N-(4-BROMO-3-METHYL-5-ISOXAZOLYL)-2-N-BENZYLBENZO(B)THIOPHENE-3-SUFONAMIDE ADMINISTERED AS ENDOTHELIN PEPTIDE RECEPTOR ANTAGONISTS TEXAS BIOTECHNOLOGY CORP. 2002-01-29 US disclosed
US-20010036958-A1 Benzenesulfonamides and the use thereof to modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS, INC. 2001-11-01 US disclosed
US-20010021714-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN ENCYSIVE PHARMACEUTICALS INC. 2001-09-13 US disclosed
EP-1048657-A1 Thienyl-, furyl-, pyrrolyl- and biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 2000-11-02 EP disclosed
US-6030991-A ADJUSTING THE BINDING OF AN ENDOTHELIN PEPTIDE TO ENDOTHELIN A OR, PARTICULARLY, ENDOTHELIN B RECEPTORS, I.E. INHIBITING OR STIMULATING; ANTIINFLAMMATORY AGENT; ASTHMA; KIDNEYS; GASTROINTESTINAL, CARDIOASCULAR DISORDERS; HYPOTENSIVE AGENTS TEXAS BIOTECHNOLOGY CORP. (US) 2000-02-29 US disclosed
EP-0819125-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-01-21 EP disclosed
WO-1996031492-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1996-10-10 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 (3 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-20010021714-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN EDNRA, EDNRB, NPSR1 EDNRA 1/4885MAPT 4280/4885FFAR4 594/4885
US-20020095041-A1 Biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin EDNRB, EDNRA, ECE2 EDNRA 2/4885MAPT 4794/4885FFAR4 504/4885
US-20010036958-A1 Benzenesulfonamides and the use thereof to modulate the activity of endothelin EDNRB, EDNRA, ECE1 EDNRA 2/4885MAPT 4799/4885FFAR4 302/4885

“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.