SCHEMBL3684433

SCHEMBL3684433

Cc1c(S(=O)(=O)O)oc2ccc(Cl)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.56
AKR1B1 P15121 4/20 0.55
KCNH2 Q12809 1/20 0.48
PKM P14618 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
AHR P35869 1/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
CLK1 P49759 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42
MAOB P27338 1/20 0.42
CA2 P00918 1/20 0.41
TTR P02766 1/20 0.41
NQO1 P15559 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
SCHEMBL3687096 0.85 AKR1B1 (0.56) MCL1AKR1B1KCNH2PKMRXFP1
SCHEMBL788583 0.78 PFKFB3 (0.56) AKR1B1PKMSMN1; SMN2KDM4EMEN1
SCHEMBL787906 0.77 PFKFB3 (0.55) AKR1B1PKMSMN1; SMN2KDM4EMEN1
SCHEMBL13211795 0.76 AKR1B1 (0.63) MCL1AKR1B1KCNH2PKMRXFP1
SCHEMBL13484254 0.75 AKR1B1 (0.65) MCL1AKR1B1KCNH2PKMRXFP1
Hydrochloric Acid SCHEMBL28301049 0.75 AKR1B1 (0.50) AKR1B1KCNH2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL14409919 0.73 MCL1 (0.59) MCL1AKR1B1KCNH2AHRALDH1A1
SCHEMBL11686876 0.72 MCL1 (0.77) MCL1KCNH2PKMRXFP1SMN1; SMN2
SCHEMBL4615856 0.72 MCL1 (1.00) MCL1KCNH2PKMRXFP1SMN1; SMN2
SCHEMBL14648196 0.72 MCL1 (0.77) MCL1KCNH2PKMRXFP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7655641-B2 Sulfonamide derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2010-02-02 US disclosed
EP-1450806-B1 USE OF SULFONAMIDE DERIVATIVES IN THE TREATMENT OF OBESITY OR FOR THE REDUCTION OF FOOD INTAKE BIOVITRUM AB PUBL (SE) 2009-04-29 EP disclosed
EP-1597248-B1 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS LILLY CO ELI (US) 2007-12-26 EP disclosed
US-20060217433-A1 Sulfonamide derivatives as ppar modulators ELI LILLY AND COMPANY (US) 2006-09-28 US disclosed
EP-1597248-A2 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-11-23 EP disclosed
WO-2004073606-A2 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-09-02 WO disclosed
EP-1450806-A1 USE OF SULFONAMIDE DERIVATIVES IN THE TREATMENT OF OBESITY OR FOR THE REDUCTION OF FOOD INTAKE BIOVITRUM AB (SE) 2004-09-01 EP disclosed
US-20030166663-A1 Use BIOVITRUM AB (SE) 2003-09-04 US disclosed
WO-2003039547-A1 USE OF SULFONAMIDE DERIVATIVES IN THE TREATMENT OF OBESITY OR FOR THE REDUCTION OF FOOD INTAKE BIOVITRUM AB (SE) 2003-05-15 WO disclosed
EP-1228066-A2 SULFONAMIDE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2002-08-07 EP disclosed
WO-2001032646-A2 SULFONAMIDE DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-10 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-20060217433-A1 Sulfonamide derivatives as ppar modulators PPARD, PPARA, PPARG MCL1 4406/4885AKR1B1 278/4885KCNH2 3126/4885
US-20030166663-A1 Use SULT2A1, SULT1A1, SLC5A1 MCL1 3897/4885AKR1B1 381/4885KCNH2 3144/4885

“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.