SCHEMBL594242

SCHEMBL594242

Cc1ccc(S(=O)(=O)OCC(C)N2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 2/20 0.55
▸ TDP1 Q9NUW8 1/20 0.47
▸ DHODH Q02127 1/20 0.46
▸ ALDH1A1 P00352 8/20 0.45
▸ KDM4E B2RXH2 6/20 0.45
▸ HPGD P15428 3/20 0.45
▸ MAPT P10636 5/20 0.44
▸ F2 P00734 3/20 0.44
▸ MMP2 P08253 2/20 0.42
▸ MMP9 P14780 2/20 0.42
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ XBP1 P17861 2/20 0.40
▸ MMP3 P08254 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ KCNN4 O15554 1/20 0.39
▸ KCNA3 P22001 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39

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
SCHEMBL10639438 1.00 VDR (0.55) VDRTDP1DHODHALDH1A1KDM4E
SCHEMBL4114031 1.00 VDR (0.55) VDRTDP1DHODHALDH1A1KDM4E
SCHEMBL14318137 0.86 VDR (0.52) VDRTDP1DHODHALDH1A1KDM4E
SCHEMBL30171052 0.86 VDR (0.52) VDRTDP1DHODHALDH1A1KDM4E
SCHEMBL14318318 0.81 VDR (0.52) VDRDHODHALDH1A1KDM4EHPGD
SCHEMBL5514761 0.81 TDP1 (0.53) TDP1ALDH1A1KDM4EHPGDMAPT
SCHEMBL5514759 0.81 TDP1 (0.53) TDP1ALDH1A1KDM4EHPGDMAPT
SCHEMBL23365820 0.78 TDP1 (0.50) VDRTDP1ALDH1A1MMP2MMP9
SCHEMBL28367938 0.77 KMT2A (0.57) VDRDHODHALDH1A1KDM4EHPGD
SCHEMBL13026902 0.76 TDP1 (0.51) TDP1ALDH1A1KDM4EHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114872-B2 Triazolyl aminopyrimidine compounds ELI LILLY AND COMPANY (US) 2012-02-14 — — US disclosed
US-20100130466-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY 2010-05-27 — — US disclosed
CN-101679396-A Triazolylaminopyrimidine compounds LILLY CO ELI 2010-03-24 — — CN disclosed
EP-2155735-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2010-02-24 — — EP disclosed
US-20090124607-A1 Novel Bicyclic Sulfonamides for Use as Glucocorticoid Receptor Modulators in the Treatment of Inflammatory Diseases ASTRAZENECA AB (SE) 2009-05-14 — — US disclosed
US-20090093485-A1 Novel Sulphonamide Derivatives as Glucocorticoid Receptor Modulators for the Treatment of Inflammatory Diseases ASTRAZENECA AB (SE) 2009-04-09 — — US disclosed
WO-2008144222-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-11-27 — — WO disclosed
WO-2008079073-A1 INDAZOLYL SULPHONAMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2008-07-03 — — WO disclosed
EP-1807391-A1 NOVEL SULPHONAMIDE DERIVATIVES AS GLUCOCORTICOID RECEPTOR MODULATORS FOR THE TREATMENT OF INFLAMMATORY DISEASES AstraZeneca AB (SE) 2007-07-18 — — EP disclosed
WO-2006046916-A1 NOVEL SULPHONAMIDE DERIVATIVES AS GLUCOCORTICOID RECEPTOR MODULATORS FOR THE TREATMENT OF INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2006-05-04 — — WO disclosed
EP-0165110-B1 OPTICALLY ACTIVE ISOCARBOSTYRIL DERIVATIVES AND A METHOD OF PREPARING THE SAME NISSHIN FLOUR MILLING CO., LTD. (JP) 1988-12-28 — — EP disclosed
US-4659833-A FOUR OPTICAL ISOMERS OF 1-(2'-(O-METHOXYPHENYL)-1'-METHYLETHYLAMINO)-3-(4\"-ISOCARBOSTYRILOXY)-2 -PROPANOL ISOLATED BY LIQUID CHROMATOGRAPHY NISSHIN FLOUR MILLING CO., LTD. (JP) 1987-04-21 — — US disclosed
EP-0091594-B1 AMINOCARBOXYLIC ACID DERIVATIVES Sanraku Incorporated (JP) 1986-01-22 — — EP disclosed
EP-0165110-A1 Optically active isocarbostyril derivatives and a method of preparing the same NISSHIN FLOUR MILLING CO., LTD. (JP) 1985-12-18 — — EP 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-20090093485-A1 Novel Sulphonamide Derivatives as Glucocorticoid Receptor Modulators for the Treatment of Inflammatory Diseases NR3C1, NR3C2, NR5A1 VDR 754/4885TDP1 4569/4885DHODH 2898/4885
US-20090124607-A1 Novel Bicyclic Sulfonamides for Use as Glucocorticoid Receptor Modulators in the Treatment of Inflammatory Diseases NR3C1, NR3C2, MC2R VDR 692/4885TDP1 4784/4885DHODH 3859/4885
US-20100130466-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS DPYD, TP53, TYMP VDR 1899/4885TDP1 481/4885DHODH 270/4885

“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.

Send feedback