SCHEMBL3631928

SCHEMBL3631928

COCN(c1onc(C)c1C)S(=O)(=O)c1ccsc1C(=O)OC

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 7/20 0.59
POLB P06746 1/20 0.48
TAS2R8 Q9NYW2 1/20 0.46
LMNA P02545 5/20 0.46
TP53 P04637 3/20 0.45
THRB P10828 2/20 0.45
MAPT P10636 1/20 0.44

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
SCHEMBL3797336 0.90 EDNRA (0.54) EDNRAPOLBLMNATP53THRB
SCHEMBL12934037 0.90 EDNRA (0.50) EDNRAPOLBTAS2R8LMNATP53
SCHEMBL3801811 0.89 EDNRA (0.46) EDNRAPOLBLMNA
SCHEMBL6955969 0.83 EDNRA (0.56) EDNRAPOLBTAS2R8LMNA
SCHEMBL5209011 0.83 EDNRA (0.50) EDNRAPOLBLMNA
SCHEMBL4631400 0.82 EDNRA (0.48) EDNRA
SCHEMBL4632365 0.82 EDNRA (0.55) EDNRA
Hydrochloric Acid SCHEMBL4631426 0.81 EDNRA (0.54) EDNRA
SCHEMBL6955974 0.81 EDNRA (0.55) EDNRAPOLBTAS2R8LMNA
SCHEMBL12934039 0.81 EDNRA (0.45) EDNRAPOLBLMNATP53THRB

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 8 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-2009002490-A2 FORMULATIONS OF N-(2-ACETYL-4,6-DIMETHYLPHENYL)-3-{[(3,4 DIMETHYL-5-ISOXAZOLYL)AMINO]SULFONYL}-2-THIOPHENECARBOXAMIDE ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-12-31 WO disclosed
US-20080317858-A1 FORMULATIONS OF N-(2-ACETYL-4,6-DIMETHYLPHENYL)-3--2-THIOPHENECARBOXAMIDE ENCYSIVE PHARMACEUTICALS INC. 2008-12-25 US disclosed
US-20080317858-A1 FORMULATIONS OF N-(2-ACETYL-4,6-DIMETHYLPHENYL)-3--2-THIOPHENECARBOXAMIDE ENCYSIVE PHARMACEUTICALS INC. 2008-12-25 US 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 (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-20080317858-A1 FORMULATIONS OF N-(2-ACETYL-4,6-DIMETHYLPHENYL)-3--2-THIOPHENECARBOXAMIDE AADAC, B3GNT2, AANAT EDNRA 1571/4885POLB 3824/4885TAS2R8 335/4885
US-20100280086-A1 SUBSTITUTED THIOPHENES EDNRB, ECE1, EDNRA EDNRA 3/4885POLB 1179/4885TAS2R8 2402/4885
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 1/4885POLB 3666/4885TAS2R8 1370/4885

“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.