SCHEMBL3133901

SCHEMBL3133901

CNC(=O)c1cn(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c2ccc(Cl)cc12

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.55
FLT1 P17948 1/20 0.50
FLT4 P35916 1/20 0.50
KDR P35968 1/20 0.50
ACLY P53396 2/20 0.43
HTR6 P50406 4/20 0.42
HSD17B2 P37059 2/20 0.41
CCR9 P51686 2/20 0.41
CCR2 P41597 1/20 0.41
EPHX2 P34913 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HSD11B1 P28845 1/20 0.39
SERPINE1 P05121 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL3141520 0.89 FLT1 (0.47) PLK1FLT1FLT4KDRACLY
SCHEMBL3132165 0.88 AKR1C3 (0.50) PLK1FLT1FLT4KDRACLY
SCHEMBL3131370 0.88 FLT1 (0.47) PLK1FLT1FLT4KDRACLY
SCHEMBL3137579 0.87 FLT1 (0.46) FLT1FLT4KDRACLYHTR6
SCHEMBL3145976 0.85 HDAC1 (0.48) FLT1FLT4KDRACLYHTR6
SCHEMBL3132217 0.81 ACLY (0.60) FLT1FLT4KDRACLYHTR6
SCHEMBL3146270 0.81 ACLY (0.55) ACLYHTR6
SCHEMBL3133970 0.80 ACLY (0.54) ACLYHTR6CCR9HSD11B1
SCHEMBL3367219 0.78 MEN1 (0.45) FLT1FLT4KDRACLYHTR6
Diethylamine SCHEMBL4566735 0.78 ACLY (0.54) FLT1FLT4KDRACLYHTR6

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 PLK1 2148/4885FLT1 4696/4885FLT4 4756/4885

“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.