SCHEMBL3133305

SCHEMBL3133305

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 4/20 0.54
CPT2 P23786 3/20 0.54
RAPGEF4 Q8WZA2 1/20 0.50
CPT1B Q92523 3/20 0.48
HTR6 P50406 7/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
EPHX2 P34913 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
FABP4 P15090 3/20 0.45
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
SRD5A2 P31213 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43

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
SCHEMBL3146265 0.89 HTR6 (0.47) CPT1ACPT2CPT1BHTR6MEN1
SCHEMBL8652798 0.86 CPT1A (0.63) CPT1ACPT2RAPGEF4CPT1BHTR6
SCHEMBL3141559 0.85 HDAC6 (0.49) CPT1ACPT2CPT1BHTR6MEN1
SCHEMBL3363510 0.82 MEN1 (0.56) HTR6MEN1KMT2AHDAC1HDAC6
SCHEMBL18161364 0.79 HTR6 (0.49) RAPGEF4HTR6MEN1KMT2AFABP4
SCHEMBL3363606 0.79 HTR6 (0.56) HTR6MEN1KMT2AHDAC1HDAC6
SCHEMBL3140526 0.78 HTR6 (0.45) HTR6MEN1KMT2AALDH1A1LMNA
SCHEMBL3140632 0.77 HTR6 (0.69) RAPGEF4HTR6MEN1KMT2AALDH1A1
SCHEMBL30622545 0.77 HTR6 (0.52) CPT1ACPT2RAPGEF4CPT1BHTR6
SCHEMBL220450 0.76 HTR6 (0.62) CPT1ACPT2CPT1BHTR6MEN1

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 8 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-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 CPT1A 1454/4885CPT2 3233/4885RAPGEF4 4837/4885

“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.