SCHEMBL3797336

SCHEMBL3797336

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

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 16/20 0.54
LMNA P02545 2/20 0.40
EDNRB P24530 4/20 0.40
POLB P06746 1/20 0.40
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL4632365 0.92 EDNRA (0.55) EDNRAEDNRB
Hydrochloric Acid SCHEMBL4631426 0.91 EDNRA (0.54) EDNRAEDNRB
SCHEMBL3631928 0.90 EDNRA (0.59) EDNRALMNAPOLBTP53THRB
SCHEMBL3801811 0.90 EDNRA (0.46) EDNRALMNAEDNRBPOLB
SCHEMBL12934039 0.90 EDNRA (0.45) EDNRALMNAEDNRBPOLBTP53
SCHEMBL7081510 0.83 EDNRA (0.51) EDNRAEDNRB
SCHEMBL4631400 0.83 EDNRA (0.48) EDNRAEDNRB
SCHEMBL12934037 0.81 EDNRA (0.50) EDNRALMNAPOLBTP53THRB
SCHEMBL12934042 0.81 EDNRA (0.39) EDNRALMNAEDNRBPOLBTP53
SCHEMBL7081513 0.80 EDNRA (0.50) EDNRAEDNRB

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 6 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
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
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 1571/4885LMNA 3763/4885EDNRB 1119/4885
US-20100280086-A1 SUBSTITUTED THIOPHENES EDNRB, ECE1, EDNRA EDNRA 3/4885LMNA 3120/4885EDNRB 1/4885
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 1/4885LMNA 3101/4885EDNRB 2/4885

“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.