SCHEMBL3133970

SCHEMBL3133970

CC(C)(C)c1ccc(S(=O)(=O)n2cc(C(=O)N3CCOCC3)c3cc(Cl)ccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.54
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.43
HTR6 P50406 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TNFSF11 O14788 3/20 0.42
TNF P01375 1/20 0.42
HSD11B1 P28845 1/20 0.42
CCR9 P51686 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL3132217 0.90 ACLY (0.60) ACLYALDH1A1GAALMNAHTR6
SCHEMBL3146270 0.89 ACLY (0.55) ACLYLMNAHTR6TNFSF11
Diethylamine SCHEMBL4566735 0.84 ACLY (0.54) ACLYALDH1A1GAALMNAHTR6
SCHEMBL3132165 0.82 AKR1C3 (0.50) ACLYSMN1; SMN2LMNAHTR6HSD11B1
SCHEMBL3137579 0.81 FLT1 (0.46) ACLYKDM4ESMN1; SMN2LMNAHTR6
SCHEMBL3145976 0.80 HDAC1 (0.48) ACLYHTR6TNFSF11TNF
SCHEMBL3133901 0.80 PLK1 (0.55) ACLYHTR6HSD11B1CCR9
SCHEMBL3141520 0.77 FLT1 (0.47) ACLYHTR6CCR9
SCHEMBL20424520 0.77 ALOX5 (0.50) ACLYALDH1A1LMNAHTR6TNFSF11
SCHEMBL3131370 0.77 FLT1 (0.47) ACLYKDM4ESMN1; SMN2LMNAHTR6

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 claimed
US-20100075963-A1 Pharmaceutically Active Benzensulphonyl-Indols NOVARTIS AG (CH) 2010-03-25 US 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

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 ACLY 3435/4885ALDH1A1 653/4885KDM4E 1044/4885

“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.