SCHEMBL3137791

SCHEMBL3137791

O=C(O)c1ccc2ccn(S(=O)(=O)c3ccc(N4CCOCC4)cc3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.55
HTR1A P08908 1/20 0.53
DRD2 P14416 1/20 0.53
KMO O15229 1/20 0.48
CPT2 P23786 2/20 0.47
CPT1A P50416 2/20 0.47
CPT1B Q92523 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
TP53 P04637 1/20 0.45
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
RAPGEF4 Q8WZA2 1/20 0.44
POLB P06746 1/20 0.43
FGFR4 P22455 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
SCHEMBL3146209 0.87 HTR6 (0.51) HTR6HTR1ADRD2ALDH1A1MAPK1
SCHEMBL3363394 0.84 HTR6 (0.52) HTR6HTR1ADRD2PKMTSHR
SCHEMBL8652798 0.79 CPT1A (0.63) HTR6CPT2CPT1ACPT1BALDH1A1
SCHEMBL3363534 0.79 FGFR4 (0.51) HTR6HTR1ADRD2TSHRFGFR4
SCHEMBL17927571 0.76 HTR6 (0.77) HTR6HTR1ADRD2ALDH1A1PKM
SCHEMBL3133305 0.76 CPT1A (0.54) HTR6HTR1ADRD2CPT2CPT1A
SCHEMBL1643417 0.75 KMO (0.68) KMOALDH1A1TSHRPOLB
SCHEMBL17927508 0.72 HTR6 (0.57) HTR6HTR1ADRD2ALDH1A1PKM
SCHEMBL60648 0.72 KMO (0.67) KMOALDH1A1MAPK1TP53PKM
Hydrochloric Acid SCHEMBL6186324 0.71 KMO (0.65) KMOALDH1A1MAPK1TP53PKM

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 HTR6 85/4885HTR1A 164/4885DRD2 809/4885

“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.