SCHEMBL6967733

SCHEMBL6967733

COc1ccc(C(O)c2cc3ccccc3s2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.57
TSHR P16473 2/20 0.57
MAPK1 P28482 2/20 0.57
GCKR Q14397 1/20 0.46
ALOX5 P09917 3/20 0.42
CYP1A2 P05177 3/20 0.42
ALOX15 P16050 2/20 0.42
PTGES O14684 1/20 0.42
LMNA P02545 1/20 0.42
LTA4H P09960 1/20 0.42
ALOX12 P18054 1/20 0.42
ALOX5AP P20292 1/20 0.42
LOX P28300 1/20 0.42
EPHX2 P34913 1/20 0.42
PTGS2 P35354 1/20 0.42
LTB4R Q15722 1/20 0.42
ATM Q13315 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
GABBR2 O75899 1/20 0.40

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
SCHEMBL6001527 0.90 GAA (0.52) GAATSHRMAPK1GCKRCYP1A2
SCHEMBL6001523 0.90 GAA (0.52) GAATSHRMAPK1GCKRCYP1A2
SCHEMBL6001530 0.90 GAA (0.52) GAATSHRMAPK1GCKRCYP1A2
SCHEMBL7816206 0.86 AOC3 (0.43) GAATSHRMAPK1GCKRALOX5
SCHEMBL7813148 0.84 TSHR (0.46) GAATSHRMAPK1CYP1A2LMNA
SCHEMBL6962651 0.83 LMNA (0.47) GAAALOX5CYP1A2ALOX15PTGES
SCHEMBL477483 0.82 HPGD (0.49) GAAALOX5CYP1A2ALOX15PTGES
SCHEMBL6956984 0.80 OPRM1 (0.43) GAAALOX5CYP1A2ALOX15PTGES
SCHEMBL6955962 0.80 TUBB4A (0.53) TSHRSMN1; SMN2
SCHEMBL6957330 0.79 ALOX5 (0.45) GAAALOX5CYP1A2ALOX15PTGES

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 9 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
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 (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 GAA 4679/4885TSHR 65/4885MAPK1 4450/4885
US-20020095041-A1 Biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin EDNRB, EDNRA, ECE2 GAA 3243/4885TSHR 246/4885MAPK1 3465/4885

“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.