SCHEMBL2772816

SCHEMBL2772816

O=C(O)Cc1sccc1S(=O)(=O)Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
PTGDR2 Q9Y5Y4 10/20 0.33
KDM4E B2RXH2 3/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
AKR1B1 P15121 2/20 0.32
FABP3 P05413 1/20 0.32
FABP2 P12104 1/20 0.32
FABP4 P15090 1/20 0.32
FABP5 Q01469 1/20 0.32
POLB P06746 1/20 0.32
NPC1 O15118 1/20 0.32

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
Hydrochloric Acid SCHEMBL28791781 0.82 LMNA (0.38) LMNANPSR1KMT2AALDH1A1MEN1
SCHEMBL11532702 0.78 LMNA (0.38) LMNANPSR1KMT2AMEN1CYP3A4
SCHEMBL28152613 0.78 LMNA (0.35) LMNANPSR1KMT2AMEN1CYP3A4
SCHEMBL13225706 0.73 AKR1B1 (0.45) KMT2AALDH1A1MEN1PTGDR2KDM4E
SCHEMBL9728565 0.72 LMNA (0.62) LMNANPSR1KMT2AMEN1CYP3A4
SCHEMBL10424599 0.71 AKR1B1 (0.43) KMT2AALDH1A1MEN1PTGDR2KDM4E
SCHEMBL4416528 0.71 AKR1B1 (0.43) LMNAKMT2AALDH1A1MEN1TSHR
Hydrochloric Acid SCHEMBL11485444 0.70 LMNA (0.61) LMNANPSR1KMT2AMEN1CYP3A4
SCHEMBL7961734 0.69 ADAMTS5 (0.40) KMT2AALDH1A1MEN1PTGDR2KDM4E
SCHEMBL3632023 0.69 ALDH1A1 (0.45) LMNAKMT2AALDH1A1MEN1PTGDR2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102137655-A Formulations of N-(2-acetyl-4,6-dimethylphenyl)-3-{[(3,4 dimethyl-5-isoxazolyl)amino]sulfonyl}-2-thiophenecarboxamide ENCYSIVE PHARMACEUTICALS INC 2011-07-27 CN disclosed
EP-2170278-A2 FORMULATIONS OF N-(2-ACETYL-4,6-DIMETHYLPHENYL)-3-{Ý(3,4 DIMETHYL-5-ISOXAZOLYL)AMINO]SULFONYL}-2-THIOPHENECARBOXAMIDE ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-04-07 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
EP-1533311-B1 Sulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC (US) 2007-04-25 EP disclosed
EP-1533311-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC. (US) 2005-05-25 EP disclosed
EP-1244657-B1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN ENCYSIVE PHARMACEUTICALS INC (US) 2004-12-29 EP disclosed
US-6686382-B2 N-(ISOXAZOLYL)THIENYLSULFONAMIDES, N-(ISOXAZOLYL)FURYLSULFONAMIDES, N-(ISOXAZOLYL)PYRROLYLSULFONAMIDES AND N-(ISOXAZOLYL)PHENYLSULFONAMIDES; INHIBIT ENDOTHELIN ENCYSIVE PHARMACEUTICALS INC. 2004-02-03 US disclosed
EP-1244657-A2 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-10-02 EP disclosed
US-20010056183-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION 2001-12-27 US disclosed
WO-2001049685-A2 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 WO disclosed
WO-2001049289-A1 PHARMACEUTICAL AND VETERINARY USES OF ENDOTHELIN ANTAGONISTS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 WO 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-20080317858-A1 FORMULATIONS OF N-(2-ACETYL-4,6-DIMETHYLPHENYL)-3--2-THIOPHENECARBOXAMIDE AADAC, B3GNT2, AANAT LMNA 3763/4885NPSR1 765/4885KMT2A 2196/4885
US-20010056183-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin EDNRA, EDNRB, ECE1 LMNA 3671/4885NPSR1 8/4885KMT2A 3597/4885

“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.