SCHEMBL5250607

SCHEMBL5250607

COc1ccc2c(c1)cc(C(=O)O)n2S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.57
PPARA Q07869 2/20 0.57
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HSD17B10 Q99714 1/20 0.55
BCL2 P10415 1/20 0.53
BID P55957 1/20 0.53
MCL1 Q07820 1/20 0.53
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52

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
SCHEMBL13802526 0.81 CCR2 (0.54) PPARGPPARAKDM4EALDH1A1HPGD
SCHEMBL13114468 0.81 CCR2 (0.64) PPARGPPARAKDM4EALDH1A1HPGD
SCHEMBL6866199 0.81 HDAC3 (0.69) PPARGPPARAKDM4EALDH1A1HPGD
SCHEMBL4369364 0.81 KDM4E (0.65) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL13802522 0.80 CCR2 (0.76) PPARGPPARAKDM4EALDH1A1HPGD
SCHEMBL741459 0.80 ACLY (0.64) PPARGPPARAALDH1A1BCL2BID
SCHEMBL3137788 0.79 ACLY (0.63) PPARGPPARABCL2BIDMCL1
SCHEMBL6865379 0.79 HDAC3 (0.66) PPARGPPARAKDM4EALDH1A1HPGD
SCHEMBL13415453 0.78 KDM4E (0.60) PPARGKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL22003888 0.77 ACLY (0.67) PPARGPPARABCL2BIDMCL1

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
EP-1758884-A2 N-CYCLIC SULFONAMIDO INHIBITORS OF GAMMA SECRETASE Elan Pharmaceuticals, Inc. (US) 2007-03-07 EP claimed
US-20060035884-A1 N-cyclic sulfonamido inhibitors of gamma secretase ELAN PHARMACEUTICALS, INC. (US) 2006-02-16 US claimed
WO-2005113542-A2 N-CYCLIC SULFONAMIDO INHIBITORS OF GAMMA SECRETASE ELAN PHARMACEUTICALS, INC. (US) 2005-12-01 WO claimed
EP-2118060-B1 1-BENZENESULFONYL-1H-INDOLE DERIVATIVES AS INHIBITORS OF CCR9 ACTIVITY NOVARTIS AG (CH) 2010-10-06 EP disclosed
US-20100075963-A1 Pharmaceutically Active Benzensulphonyl-Indols NOVARTIS AG (CH) 2010-03-25 US disclosed
WO-2008095908-A1 1-BENZENESULFONYL-1H-INDOLE DERIVATIVES AS INHIBITORS OF CCR9 ACTIVITY NOVARTIS AG (CH) 2008-08-14 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-20100075963-A1 Pharmaceutically Active Benzensulphonyl-Indols CCR9, IDO1, CCR10 PPARG 387/4885PPARA 630/4885KDM4E 1044/4885
US-20060035884-A1 N-cyclic sulfonamido inhibitors of gamma secretase BACE1, BACE2, APH1B PPARG 3572/4885PPARA 3491/4885KDM4E 2448/4885

“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.