SCHEMBL3697389

SCHEMBL3697389

O=S(=O)(c1sccc1Br)n1cccc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
FBP1 P09467 1/20 0.33
MAPT P10636 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
PKM P14618 2/20 0.31
POLB P06746 1/20 0.30
CA12 O43570 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 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
SCHEMBL7344928 1.00 CA1 (0.39) CA1CA2FBP1MAPTRXFP1
SCHEMBL3701952 0.79 EDNRA (0.32)
SCHEMBL6970430 0.74 CA1 (0.40) CA1CA2FBP1MAPT
SCHEMBL1927671 0.73 CA2 (0.41) CA1CA2POLBCA12CA7
SCHEMBL1927669 0.70 POLB (0.31) CA1CA2POLBCA12CA7
SCHEMBL3059991 0.70 POLB (0.34) CA1CA2POLBCA12CA7
SCHEMBL1927038 0.70 ALDH1A1 (0.31) CA1CA2POLBCA12CA7
SCHEMBL9843392 0.70 POLB (0.34) CA1CA2POLBCA12CA7
Hydrochloric Acid SCHEMBL28079593 0.68 POLB (0.33) CA1CA2POLBCA12CA7
SCHEMBL24254266 0.67 PKM (0.60) MAPTPKMPOLB

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
EP-2190822-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-06-02 EP disclosed
WO-2009041705-A9 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2009-08-13 WO disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2009041705-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 WO disclosed
EP-1498418-B1 Sulfonamides for treatment of endothelin-mediated disorders ENCYSIVE PHARMACEUTICALS INC (US) 2008-05-21 EP disclosed
EP-0980369-B1 SULFONAMIDES FOR TREATMENT OF ENDOTHELIN-MEDIATED DISORDERS ENCYSIVE PHARMACEUTICALS INC (US) 2005-03-30 EP disclosed
EP-1498418-A1 Sulfonamides for treatment of endothelin-mediated disorders ENCYSIVE PHARMACEUTICALS INC. (US) 2005-01-19 EP disclosed
EP-1498419-A1 Process for preparing alkali metal salts of hydrophobic sulfonamides 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-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-6331637-B1 N-Alkyl, N-Alkenyl, N-Alkynyl, N-Aryl and N-fused bicyclo or tricyclo thienyl-, furyl-,and Pyrrolyl-sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION 2001-12-18 US disclosed
US-20010039289-A1 Formulation of sulfonamides for treatment of endothelin-mediated disorders ENCYSIVE PHARMACEUTICALS INC. 2001-11-08 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
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
EP-0980369-A1 SULFONAMIDES FOR TREATMENT OF ENDOTHELIN-MEDIATED DISORDERS TEXAS BIOTECHNOLOGY CORPORATION (US) 2000-02-23 EP disclosed
US-5962490-A Thienyl-, furyl- and pyrrolyl-sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 1999-10-05 US disclosed
WO-1998049162-A1 SULFONAMIDES FOR TREATMENT OF ENDOTHELIN-MEDIATED DISORDERS TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-11-05 WO disclosed
US-5594021-A VASOCONSTRICTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 1997-01-14 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 (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 CA1 4538/4885CA2 4094/4885FBP1 2457/4885
US-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 CA1 975/4885CA2 335/4885FBP1 461/4885
US-20010039289-A1 Formulation of sulfonamides for treatment of endothelin-mediated disorders EDNRA, EDNRB, ECE1 CA1 2820/4885CA2 760/4885FBP1 2119/4885

“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.