SCHEMBL5464210

SCHEMBL5464210

CC(C)c1ccc(C(=O)[C@@H]2C[C@H]2c2ccccc2)c(C(C)C)c1OS(N)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
SLC9A1 P19634 1/20 0.36
HDAC4 P56524 1/20 0.35
CHRNA7 P36544 1/20 0.35
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
KDM1A O60341 1/20 0.34
GPR88 Q9GZN0 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL5464216 1.00 SIGMAR1 (0.37) SIGMAR1ALDH1A1HRH3SLC9A1HDAC4
SCHEMBL6943629 0.86 SIGMAR1 (0.37) SIGMAR1ALDH1A1HRH3CHRNA7GPR88
SCHEMBL7206322 0.77 CA1 (0.36) HDAC4CA12CA1CA2CA9
SCHEMBL7211822 0.76 STS (0.40) SMN1; SMN2MAPTCA12CA1CA2
SCHEMBL7206852 0.75 CA12 (0.37) TDP1CA12CA1CA2CA9
SCHEMBL7207611 0.75 CA1 (0.37) MAPTCA12CA1CA2CA9
SCHEMBL8497715 0.75 FAAH (0.37) CA12CA1CA2CA9
SCHEMBL8498058 0.74 ATM (0.39) ALDH1A1HDAC4SMN1; SMN2TDP1MAPT
SCHEMBL7207511 0.74 STS (0.48) MAPTHPGDCA12CA1CA2
SCHEMBL7206838 0.74 CA1 (0.37) CA12CA1CA2CA9

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070155832-A1 Use of sulfonamide compounds for the treatment of diabetes and/or obesity ASTRAZENECA AB (SE) 2007-07-05 US claimed
EP-1682112-A1 USE OF SULFONAMIDE COMPOUNDS FOR THE TREATMENT OF DIABETES AND/OR OBESITY AstraZeneca AB (SE) 2006-07-26 EP claimed
WO-2005044250-A1 USE OF SULFONAMIDE COMPOUNDS FOR THE TREATMENT OF DIABETES AND/OR OBESITY ASTRAZENECA AB (SE) 2005-05-19 WO claimed
US-20030134898-A1 Dual inhibitors of wax ester and cholesteryl ester synthesis for inhibiting sebum production HOMAN REYNOLD (US) 2003-07-17 US claimed
JP-2003513909-A 2003-04-15 JP claimed
EP-0841913-B1 USE OF SULFAMIC ACID DERIVATIVES, ACYL SULFONAMIDES OR SULFONYL CARBAMATES FOR THE MANUFACTURE OF A MEDICAMENT FOR LOWERING LIPOPROTEIN LEVELS WARNER LAMBERT CO (US) 2003-02-05 EP claimed
EP-1281399-A2 Dual inhibitors of wax ester and cholesteryl ester synthesis for inhibiting sebum production WARNER-LAMBERT COMPANY (US) 2003-02-05 EP claimed
US-20020183384-A1 Methods of treating nuclear factor-kappa B mediated diseases and disorders CORNICELLI JOSEPH ANTHONY (US) 2002-12-05 US claimed
EP-1236468-A1 Sulfonylaminocarbonyl derivatives for the treatment of nuclear factor-kappa B mediated diseases and disorders WARNER-LAMBERT COMPANY (US) 2002-09-04 EP claimed
EP-1229907-A1 PREVENTION OF PLAQUE RUPTURE BY ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-08-14 EP claimed
WO-2001034127-A1 PREVENTION OF PLAQUE RUPTURE BY ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-05-17 WO claimed
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP claimed
US-6117909-A TREATING CARDIOVASCULAR DISEASE SUCH AS STROKE, PERIPHERAL VASCULAR DISEASES, AND RESTENOSIS. WARNER-LAMBERT COMPANY (US) 2000-09-12 US claimed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO claimed
EP-0698010-B1 N-ACYL SULFAMIC ACID ESTERS (OR THIOESTERS), N-ACYL SULFONAMIDES, AND N-SULFONYL CARBAMIC ACID ESTERS (OR THIOESTERS) AS HYPERCHOLESTEROLEMIC AGENTS WARNER LAMBERT CO (US) 1999-04-14 EP claimed
EP-0841913-A1 USE OF SULFAMIC ACID DERIVATIVES, ACYL SULFONAMIDES OR SULFONYL CARBAMATES FOR THE MANUFACTURE OF A MEDICAMENT FOR LOWERING LIPOPROTEIN LEVELS WARNER-LAMBERT COMPANY (US) 1998-05-20 EP claimed
WO-1997005868-A1 USE OF SULFAMIC ACID DERIVATIVES, ACYL SULFONAMIDES OR SULFONYL CARBAMATES FOR THE MANUFACTURE OF A MEDICAMENT FOR LOWERING LIPOPROTEIN LEVELS WARNER-LAMBERT COMPANY (US) 1997-02-20 WO claimed
EP-0698010-A1 N-ACYL SULFAMIC ACID ESTERS (OR THIOESTERS), N-ACYL SULFONAMIDES, AND N-SULFONYL CARBAMIC ACID ESTERS (OR THIOESTERS) AS HYPERCHOLESTEROLEMIC AGENTS WARNER-LAMBERT COMPANY (US) 1996-02-28 EP claimed
US-5491172-A ACYLCOENZYME A:CHOLESTEROL ACYLTRANSFERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1996-02-13 US claimed
WO-1994026702-A1 N-ACYL SULFAMIC ACID ESTERS (OR THIOESTERS), N-ACYL SULFONAMIDES, AND N-SULFONYL CARBAMIC ACID ESTERS (OR THIOESTERS) AS HYPERCHOLESTEROLEMIC AGENTS WARNER-LAMBERT COMPANY (US) 1994-11-24 WO claimed

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-20020183384-A1 Methods of treating nuclear factor-kappa B mediated diseases and disorders NFKBIA, IKBKB, RELA SIGMAR1 4754/4885ALDH1A1 4328/4885HRH3 2535/4885
US-20030134898-A1 Dual inhibitors of wax ester and cholesteryl ester synthesis for inhibiting sebum production ACAT2, LCAT, SOAT1 SIGMAR1 2461/4885ALDH1A1 412/4885HRH3 2626/4885
US-20070155832-A1 Use of sulfonamide compounds for the treatment of diabetes and/or obesity GPR119, DGAT1, DGAT2 SIGMAR1 100/4885ALDH1A1 521/4885HRH3 1094/4885

“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.