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SCHEMBL7217797

SCHEMBL7217797

Cc1noc(NS(=O)(=O)c2c(Cc3ccc4c(c3)OCO4)sc3ccc(CC(C)C)c(N)c23)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 18/20 0.54
▸ EDNRB P24530 14/20 0.54
▸ ABCC3 O15438 1/20 0.42
▸ ABCC4 O15439 1/20 0.42
▸ ABCB11 O95342 1/20 0.42
▸ PDE4A P27815 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL6788087 0.90 EDNRA (0.50) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL4663251 0.81 EDNRA (0.50) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL6150865 0.81 EDNRA (0.54) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL4631462 0.79 EDNRA (0.53) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL4631489 0.79 EDNRA (0.53) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL4631516 0.78 EDNRA (0.53) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL7014658 0.77 EDNRA (0.55) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL6152888 0.77 EDNRA (0.48) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL4631346 0.75 EDNRA (0.72) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL4631801 0.74 EDNRA (0.50) EDNRAEDNRBABCC3ABCC4ABCB11

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 5 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
US-6458805-B2 ANTAGONISTS; ESPECIALLY SODIUM SALTS TEXAS BIOTECHNOLOGY CORPORATION 2002-10-01 — — US disclosed
US-20020095041-A1 Biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC. 2002-07-18 — — 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

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 EDNRA 1/4885EDNRB 2/4885ABCC3 2270/4885
US-20010039289-A1 Formulation of sulfonamides for treatment of endothelin-mediated disorders EDNRA, EDNRB, ECE1 EDNRA 1/4885EDNRB 2/4885ABCC3 2044/4885
US-20020095041-A1 Biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin EDNRB, EDNRA, ECE2 EDNRA 2/4885EDNRB 1/4885ABCC3 960/4885

“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.