SCHEMBL6421622

SCHEMBL6421622

O=C(Cc1ccccc1)NS(=O)(=O)c1cccs1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 9/20 0.57
PTGER1 P34995 7/20 0.57
PTGER4 P35408 7/20 0.57
PTGER2 P43116 7/20 0.57
EGFR P00533 3/20 0.51
ERBB2 P04626 3/20 0.51
TSHR P16473 2/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
BRD4 O60885 1/20 0.49
ALDH1A1 P00352 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
SCHEMBL3973206 0.87 PTGER3 (0.49) PTGER3PTGER1PTGER4PTGER2EGFR
SCHEMBL3973201 0.85 PTGER3 (0.47) PTGER3PTGER1PTGER4PTGER2EGFR
SCHEMBL4660476 0.80 CYP2C9 (0.54) PTGER3PTGER1PTGER4PTGER2TSHR
SCHEMBL8692307 0.79 CYP2D6 (0.56) PTGER3PTGER1PTGER4PTGER2TSHR
SCHEMBL10405410 0.77 MEN1 (0.59) EGFRERBB2ALDH1A1
SCHEMBL28683479 0.76 MEN1 (0.51) PTGER3PTGER1PTGER4PTGER2TSHR
SCHEMBL26338441 0.76 ALDH1A1 (0.52) PTGER3PTGER1PTGER4PTGER2TSHR
SCHEMBL2691075 0.74 HPGD (0.64) CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL7211477 0.74 CYP2D6 (0.66) TSHRCYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL2789687 0.74 GAA (0.68) TSHRCYP2D6CYP2C9CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0980369-B1 SULFONAMIDES FOR TREATMENT OF ENDOTHELIN-MEDIATED DISORDERS ENCYSIVE PHARMACEUTICALS INC (US) 2005-03-30 EP claimed
CN-1179961-C Sulfonamides for the treatment of endothelin mediated diseases ��ɪϣ����ҩ��˾ 2004-12-15 CN claimed
CN-1130355-C Thienyl-, Furyl-, Pyrrolyl- and biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORP (US) 2003-12-10 CN claimed
EP-0819125-B1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORP (US) 2003-06-18 EP claimed
US-6458805-B2 ANTAGONISTS; ESPECIALLY SODIUM SALTS TEXAS BIOTECHNOLOGY CORPORATION 2002-10-01 US claimed
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 claimed
US-20010039289-A1 Formulation of sulfonamides for treatment of endothelin-mediated disorders ENCYSIVE PHARMACEUTICALS INC. 2001-11-08 US claimed
US-20010021714-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN ENCYSIVE PHARMACEUTICALS INC. 2001-09-13 US claimed
WO-2001049289-A1 PHARMACEUTICAL AND VETERINARY USES OF ENDOTHELIN ANTAGONISTS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 WO claimed
US-6248767-B1 VASOCONSTRICTION TEXAS BIOTECHNOLOGY CORP. 2001-06-19 US claimed
CN-1253560-A Sulfonamides for the treatment of endothelin mediated diseases TEXA BIOTECHNOLOGY CORP (US) 2000-05-17 CN claimed
EP-0980369-A1 SULFONAMIDES FOR TREATMENT OF ENDOTHELIN-MEDIATED DISORDERS TEXAS BIOTECHNOLOGY CORPORATION (US) 2000-02-23 EP claimed
WO-1998049162-A1 SULFONAMIDES FOR TREATMENT OF ENDOTHELIN-MEDIATED DISORDERS TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-11-05 WO claimed
CN-1184470-A Thienyl-, Furyl-, Pyrrolyl- and biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORP (US) 1998-06-10 CN claimed

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-20010021714-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN EDNRA, EDNRB, NPSR1 PTGER3 364/4885PTGER1 636/4885PTGER4 505/4885
US-20010039289-A1 Formulation of sulfonamides for treatment of endothelin-mediated disorders EDNRA, EDNRB, ECE1 PTGER3 261/4885PTGER1 171/4885PTGER4 334/4885

“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.