SCHEMBL4907860

SCHEMBL4907860

Cc1cc2c(cc1CC(=O)c1sccc1S(=O)(=O)Nc1nocc1Cl)OCO2

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 20/20 0.75
▸ EDNRB P24530 19/20 0.75
▸ ABCC3 O15438 1/20 0.70
▸ ABCC4 O15439 1/20 0.70
▸ ABCB11 O95342 1/20 0.70
▸ PDE4A P27815 1/20 0.70

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
SCHEMBL4907853 0.88 EDNRA (0.59) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL6150890 0.86 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4ABCB11
Sitaxentan SCHEMBL29372653 0.82 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4ABCB11
Sitaxentan SCHEMBL803344 0.82 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4ABCB11
Sitaxentan SCHEMBL4142779 0.82 EDNRA (0.98) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL7048101 0.81 EDNRA (0.68) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL6151306 0.80 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4ABCB11
Sitaxentan SCHEMBL12933770 0.80 EDNRA (0.90) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL7252032 0.80 EDNRA (0.68) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL8555870 0.79 EDNRA (0.64) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080026061-A1 Crystalline N-(4-chloro-3-methyl-5-isoxazolyl)-2-[2-methyl-4.5-(methylenedioxy)phenylacetyl]-thiophene-3-sulfonamide ENCYSIVE PHARMACEUTICALS, INC. 2008-01-31 — — 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 (1 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-20080026061-A1 Crystalline N-(4-chloro-3-methyl-5-isoxazolyl)-2-[2-methyl-4.5-(methylenedioxy)phenylacetyl]-thiophene-3-sulfonamide ECE2, EDNRA, ECE1 EDNRA 2/4885EDNRB 4/4885ABCC3 761/4885

“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.

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