SCHEMBL3632857

SCHEMBL3632857

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

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 18/20 0.64
▸ EDNRB P24530 16/20 0.64
▸ ABCC3 O15438 1/20 0.62
▸ ABCC4 O15439 1/20 0.62
▸ ABCB11 O95342 1/20 0.62
▸ PDE4A P27815 1/20 0.62
▸ NPC1 O15118 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ SMN1; SMN2 Q16637 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
SCHEMBL8555870 0.89 EDNRA (0.64) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL6151306 0.79 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL13668941 0.79 EDNRA (0.72) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL7252032 0.78 EDNRA (0.68) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL6314152 0.78 EDNRA (0.66) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL4907860 0.78 EDNRA (0.75) EDNRAEDNRBABCC3ABCC4ABCB11
Sitaxentan SCHEMBL803344 0.78 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL6150890 0.78 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4ABCB11
Sitaxentan SCHEMBL29372653 0.78 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL7048101 0.78 EDNRA (0.68) 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-7863308-B2 Substituted thiophenes AUSPEX PHARMACEUTICALS, INC. (US) 2011-01-04 — — US disclosed
US-20100280086-A1 SUBSTITUTED THIOPHENES AUSPEX PHARMACEUTICALS, INC. (US) 2010-11-04 — — US disclosed
EP-2144903-A1 SUBSTITUTED DEUTERIUM ENRICHED THIOPHENES FOR THE TREATMENT OF HYPERTENSION Auspex Pharmaceuticals Inc. (US) 2010-01-20 — — EP disclosed
WO-2008124803-A1 SUBSTITUTED DEUTERIUM ENRICHED THIOPHENES FOR THE TREATMENT OF HYPERTENSION AUSPEX PHARMACEUTICALS, INC. (US) 2008-10-16 — — WO disclosed
US-20080255036-A1 Deuterated thiophene derivatives such as d2-2-[2-(6-methyl-benzo[1,3]dioxol-5-yl)-acetyl]-thiophene-3-sulfonic acid (4-chloro-3-methyl-isoxazol-5-yl)-amide; for modulating endothelin receptors; for treating, preventing, or ameliorating one or more symptoms of an endothelin-mediated disorder AUSPEX PHARMACEUTICALS, INC. (US) 2008-10-16 — — 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-20100280086-A1 SUBSTITUTED THIOPHENES EDNRB, ECE1, EDNRA EDNRA 3/4885EDNRB 1/4885ABCC3 683/4885
US-20080255036-A1 Deuterated thiophene derivatives such as d2-2-[2-(6-methyl-benzo[1,3]dioxol-5-yl)-acetyl]-thiophene-3-sulfonic acid (4-chloro-3-methyl-isoxazol-5-yl)-amide; for modulating endothelin receptors; for treating, preventing, or ameliorating one or more symptoms of an endothelin-mediated disorder EDNRA, EDNRB, TBXA2R EDNRA 1/4885EDNRB 2/4885ABCC3 2159/4885

“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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