SCHEMBL6151457

SCHEMBL6151457

Cc1cc(-c2cc(S(N)(=O)=O)ccc2-c2ccc(-c3ccc(F)c(F)c3F)cc2)on1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.52
PIK3CB P42338 1/20 0.52
PIK3CG P48736 1/20 0.52
PTGS2 P35354 18/20 0.48
PTGS1 P23219 14/20 0.48

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
SCHEMBL7212772 0.79 PIK3CD (0.52) PIK3CDPIK3CBPIK3CGPTGS2PTGS1
SCHEMBL6151972 0.79 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL7637660 0.78 CA2 (0.54) PIK3CDPIK3CBPIK3CGPTGS2PTGS1
SCHEMBL6151459 0.74 EDNRA (0.58) PTGS2PTGS1
SCHEMBL6794663 0.72 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL17203445 0.68 PIK3CD (1.00) PIK3CDPIK3CBPIK3CG
SCHEMBL7212785 0.67 PTGS2 (0.47) PIK3CDPIK3CBPIK3CGPTGS2PTGS1
SCHEMBL27467613 0.67 CA2 (0.47) PIK3CDPIK3CBPIK3CGPTGS2PTGS1
SCHEMBL29549140 0.67 LRRK2 (0.50) PTGS2PTGS1
SCHEMBL28721744 0.67 LRRK2 (0.50) PTGS2PTGS1

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 17 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-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-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-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
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 (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-20010021714-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN EDNRA, EDNRB, NPSR1 PIK3CD 4726/4885PIK3CB 4687/4885PIK3CG 4754/4885
US-20020091270-A1 Sulfonamides for treatment of endothelin-mediated disorders EDNRA, ECE1, EDNRB PIK3CD 2350/4885PIK3CB 3238/4885PIK3CG 3361/4885
US-20010039289-A1 Formulation of sulfonamides for treatment of endothelin-mediated disorders EDNRA, EDNRB, ECE1 PIK3CD 3833/4885PIK3CB 4018/4885PIK3CG 4086/4885
US-20010036958-A1 Benzenesulfonamides and the use thereof to modulate the activity of endothelin EDNRB, EDNRA, ECE1 PIK3CD 3944/4885PIK3CB 3320/4885PIK3CG 3911/4885

“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.