SCHEMBL3140632

SCHEMBL3140632

CC(C)(C)c1ccc(S(=O)(=O)n2ccc3ccccc32)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.69
HTT P42858 4/20 0.69
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
ALDH1A1 P00352 2/20 0.69
LMNA P02545 2/20 0.69
HPGD P15428 1/20 0.69
TSHR P16473 1/20 0.69
L3MBTL1 Q9Y468 2/20 0.66
PKM P14618 1/20 0.66
NPSR1 Q6W5P4 2/20 0.55
MAPT P10636 1/20 0.55
RAPGEF4 Q8WZA2 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
POLB P06746 1/20 0.48
HSD11B1 P28845 2/20 0.46
USP2 O75604 1/20 0.46
ALOX15 P16050 1/20 0.46
GAA P10253 1/20 0.45

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
SCHEMBL12096726 0.84 HTR6 (0.63) HTR6HTTMEN1KMT2AALDH1A1
SCHEMBL1673252 0.83 HTR6 (0.75) HTR6HTTMEN1KMT2AALDH1A1
SCHEMBL29414854 0.83 HTR6 (0.75) HTR6HTTMEN1KMT2AALDH1A1
SCHEMBL29558135 0.82 HTR6 (1.00) HTR6HTTMEN1KMT2AALDH1A1
SCHEMBL429849 0.82 HTR6 (1.00) HTR6HTTMEN1KMT2AALDH1A1
SCHEMBL1203289 0.81 HTR6 (0.73) HTR6HTTMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL28794299 0.80 HTR6 (0.96) HTR6HTTMEN1KMT2AALDH1A1
SCHEMBL9587047 0.80 HTR6 (0.75) HTR6HTTMEN1KMT2AALDH1A1
SCHEMBL31663420 0.80 HTR6 (0.81) HTR6HTTMEN1KMT2AALDH1A1
SCHEMBL3967709 0.80 HTR6 (0.75) HTR6HTTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2118060-A1 1-BENZENESULFONYL-1H-INDOLE DERIVATIVES AS INHIBITORS OF CCR9 ACTIVITY Novartis AG (CH) 2009-11-18 EP 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 (1 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 HTR6 85/4885HTT 2478/4885MEN1 4615/4885

“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.