SCHEMBL3146265

SCHEMBL3146265

CC(C)(C)c1ccc(S(=O)(=O)n2ccc3ccc(C(N)=O)cc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.47
CPT1A P50416 3/20 0.45
CPT2 P23786 2/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC6 Q9UBN7 2/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CPT1B Q92523 2/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
NR1I2 O75469 1/20 0.41
HDAC3 O15379 1/20 0.40

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
SCHEMBL3133305 0.89 CPT1A (0.54) HTR6CPT1ACPT2HDAC1HDAC6
SCHEMBL7402844 0.86 CPT1A (0.53) HTR6CPT1ACPT2HDAC1HDAC6
SCHEMBL3141559 0.84 HDAC6 (0.49) HTR6CPT1ACPT2HDAC1HDAC6
SCHEMBL30986327 0.83 HTR6 (0.63) HTR6CPT1ACPT2HDAC1HDAC6
SCHEMBL3363606 0.82 HTR6 (0.56) HTR6HDAC1HDAC6MEN1KMT2A
SCHEMBL3140632 0.79 HTR6 (0.69) HTR6MEN1KMT2AHTTALDH1A1
SCHEMBL3363510 0.79 MEN1 (0.56) HTR6HDAC1HDAC6MEN1KMT2A
SCHEMBL18161364 0.78 HTR6 (0.49) HTR6MEN1KMT2AHTTALDH1A1
SCHEMBL3140526 0.77 HTR6 (0.45) HTR6MEN1KMT2AHTTALDH1A1
SCHEMBL27819639 0.76 RAPGEF4 (0.58) HTR6HDAC1HDAC6MEN1KMT2A

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 12 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 claimed
US-20100075963-A1 Pharmaceutically Active Benzensulphonyl-Indols NOVARTIS AG (CH) 2010-03-25 US claimed
EP-2118060-A1 1-BENZENESULFONYL-1H-INDOLE DERIVATIVES AS INHIBITORS OF CCR9 ACTIVITY Novartis AG (CH) 2009-11-18 EP claimed
WO-2008095908-A1 1-BENZENESULFONYL-1H-INDOLE DERIVATIVES AS INHIBITORS OF CCR9 ACTIVITY NOVARTIS AG (CH) 2008-08-14 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
EP-2134687-A1 PIPERAZINE AND PIPERIDINE MGLUR5 POTENTIATORS AstraZeneca AB (SE) 2009-12-23 EP disclosed
EP-2118060-A1 1-BENZENESULFONYL-1H-INDOLE DERIVATIVES AS INHIBITORS OF CCR9 ACTIVITY Novartis AG (CH) 2009-11-18 EP disclosed
WO-2008112440-A1 PIPERAZINE AND PIPERIDINE MGLUR5 POTENTIATORS ASTRAZENECA AB (SE) 2008-09-18 WO disclosed
WO-2008095908-A1 1-BENZENESULFONYL-1H-INDOLE DERIVATIVES AS INHIBITORS OF CCR9 ACTIVITY NOVARTIS AG (CH) 2008-08-14 WO disclosed
EP-0667867-A1 PIPERIDINE DERIVATIVES AS 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-08-23 EP disclosed
WO-1994010174-A1 PIPERIDINE DERIVATIVES AS 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-05-11 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 85/4885CPT1A 1454/4885CPT2 3233/4885

“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.