SCHEMBL3145976

SCHEMBL3145976

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC2 Q92769 1/20 0.48
FLT1 P17948 1/20 0.45
FLT4 P35916 1/20 0.45
KDR P35968 1/20 0.45
ACLY P53396 3/20 0.43
HTR6 P50406 5/20 0.42
TNF P01375 3/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
GFER P55789 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PTGER1 P34995 1/20 0.40
TNFSF11 O14788 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
SCHEMBL3132165 0.88 AKR1C3 (0.50) FLT1FLT4KDRACLYHTR6
SCHEMBL3137579 0.87 FLT1 (0.46) FLT1FLT4KDRACLYHTR6
SCHEMBL3133901 0.85 PLK1 (0.55) FLT1FLT4KDRACLYHTR6
SCHEMBL3366631 0.82 FLT1 (0.43) FLT1FLT4KDRACLYHTR6
SCHEMBL3141520 0.82 FLT1 (0.47) FLT1FLT4KDRACLYHTR6
SCHEMBL3131370 0.81 FLT1 (0.47) FLT1FLT4KDRACLYHTR6
SCHEMBL3132217 0.81 ACLY (0.60) FLT1FLT4KDRACLYHTR6
SCHEMBL3146270 0.81 ACLY (0.55) ACLYHTR6TNFSF11
SCHEMBL3133970 0.80 ACLY (0.54) ACLYHTR6TNFTNFSF11
SCHEMBL3367219 0.78 MEN1 (0.45) 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 6 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

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 HDAC1 471/4885HDAC6 243/4885HDAC2 275/4885

“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.