SCHEMBL6969901

SCHEMBL6969901

O=S(=O)(c1ccc(-c2cccc3ccccc23)s1)n1cccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.53
CA1 P00915 7/20 0.53
CA2 P00918 7/20 0.53
CA9 Q16790 7/20 0.53
PRKDC P78527 1/20 0.38
MAOA P21397 1/20 0.35
LOX P28300 1/20 0.35
PTPN1 P18031 1/20 0.35
HTR2C P28335 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 1/20 0.34
HTR6 P50406 1/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
IRS1 P35568 1/20 0.33
GAB1 Q13480 1/20 0.33

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
SCHEMBL6962394 0.79 CA1 (0.58) CA12CA1CA2CA9PRKDC
SCHEMBL7340066 0.76 APP (0.57) PTPN1MEN1KMT2AMAPK1TSHR
SCHEMBL7336614 0.74 CA2 (0.43) CA12CA1CA2CA9PRKDC
SCHEMBL6968713 0.74 CA2 (0.43) CA12CA1CA2CA9PRKDC
SCHEMBL13707355 0.72 CA12 (0.47) CA12CA1CA2CA9PRKDC
SCHEMBL7511900 0.72 CA1 (0.53) CA12CA1CA2CA9MEN1
SCHEMBL4630751 0.72 CA1 (0.53) CA12CA1CA2CA9MEN1
SCHEMBL6959252 0.71 KMT2A (0.46) CA12CA1CA2CA9HTR2C
SCHEMBL4218405 0.69 KDM4E (0.47) CA12CA1CA2CA9PRKDC
SCHEMBL4632012 0.69 MMP2 (0.43) CA12CA1CA2CA9MEN1

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
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 disclosed
US-20020095041-A1 Biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC. 2002-07-18 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-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-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
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
US-5594021-A VASOCONSTRICTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 1997-01-14 US 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 (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 CA12 4709/4885CA1 4538/4885CA2 4094/4885
US-20020095041-A1 Biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin EDNRB, EDNRA, ECE2 CA12 2323/4885CA1 2160/4885CA2 972/4885

“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.