SCHEMBL6151082

SCHEMBL6151082

COc1ccccc1-c1ccc(-c2ccc(S(N)(=O)=O)cc2-c2onc(C)c2Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.53
CA9 Q16790 9/20 0.53
CA1 P00915 7/20 0.49
CA12 O43570 6/20 0.49
PTGS2 P35354 4/20 0.47
PTGS1 P23219 3/20 0.47
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
EDNRB P24530 2/20 0.43
EDNRA P25101 2/20 0.43
CA4 P22748 1/20 0.41
S1PR1 P21453 1/20 0.40
DRD1 P21728 1/20 0.40
PTPRC P08575 1/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL6151274 0.94 CA2 (0.50) CA2CA9CA1CA12PTGS2
SCHEMBL6151353 0.93 CA2 (0.51) CA2CA9CA1CA12PTGS2
SCHEMBL7337092 0.90 CA2 (0.44) CA2CA9CA1CA12PTGS2
SCHEMBL27492675 0.86 CA2 (0.44) CA2CA9CA1CA12PTGS2
SCHEMBL7211610 0.83 CA2 (0.39) CA2CA9CA1CA12PTGS2
SCHEMBL6151298 0.81 CA2 (0.46) CA2CA9CA1CA12PTGS2
SCHEMBL7637660 0.80 CA2 (0.54) CA2CA9CA1CA12PTGS2
SCHEMBL6151972 0.79 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL6151087 0.79 CA2 (0.48) CA2CA9CA1CA12PTGS2
SCHEMBL6151278 0.78 PTGS2 (0.47) CA2CA9CA1CA12PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-1498419-A1 Process for preparing alkali metal salts of hydrophobic sulfonamides ENCYSIVE PHARMACEUTICALS INC. (US) 2005-01-19 EP disclosed
EP-1498418-A1 Sulfonamides for treatment of endothelin-mediated disorders ENCYSIVE PHARMACEUTICALS INC. (US) 2005-01-19 EP disclosed
US-6683103-B2 SULFONAMIDES CONTAINING OXAZOLE AND SUBSTITUTED THIOPHENE RINGS, USEFUL FOR TREATING HYPERTENSION, CARDIOVASCULAR DISEASE, ASTHMA, PULMONARY HYPERTENSION, INFLAMMATORY DISEASES, VISION DEFECTS, MENSTRUAL DISORDERS, RENAL FAILURE TEXAS BIOTECHNOLOGY CORPORATION 2004-01-27 US disclosed
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-6458805-B2 ANTAGONISTS; ESPECIALLY SODIUM SALTS TEXAS BIOTECHNOLOGY CORPORATION 2002-10-01 US disclosed
US-6432994-B1 CARDIOVASCULAR DISORDERS, GLAUCOMA; ANTIINFLAMMATORY, WOUND HEALING, HYPOTENSIVE, ANTIASTHMATIC, AND ANTIANAPHYLACTIC AGENTS TEXAS BIOTECHNOLOGY CORPORATION 2002-08-13 US disclosed
US-20020095041-A1 Biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC. 2002-07-18 US disclosed
US-20020091270-A1 Sulfonamides for treatment of endothelin-mediated disorders ENCYSIVE PHARMACEUTICALS INC. 2002-07-11 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-20010039289-A1 Formulation of sulfonamides for treatment of endothelin-mediated disorders ENCYSIVE PHARMACEUTICALS INC. 2001-11-08 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
WO-2001049289-A1 PHARMACEUTICAL AND VETERINARY USES OF ENDOTHELIN ANTAGONISTS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 WO disclosed
US-6248767-B1 VASOCONSTRICTION TEXAS BIOTECHNOLOGY CORP. 2001-06-19 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

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-20010021714-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN EDNRA, EDNRB, NPSR1 CA2 4094/4885CA9 4587/4885CA1 4538/4885
US-20020091270-A1 Sulfonamides for treatment of endothelin-mediated disorders EDNRA, ECE1, EDNRB CA2 48/4885CA9 540/4885CA1 2011/4885
US-20010039289-A1 Formulation of sulfonamides for treatment of endothelin-mediated disorders EDNRA, EDNRB, ECE1 CA2 760/4885CA9 2262/4885CA1 2820/4885
US-20020095041-A1 Biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin EDNRB, EDNRA, ECE2 CA2 972/4885CA9 2242/4885CA1 2160/4885
US-20010036958-A1 Benzenesulfonamides and the use thereof to modulate the activity of endothelin EDNRB, EDNRA, ECE1 CA2 1537/4885CA9 2716/4885CA1 3550/4885

“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.