SCHEMBL3131370

SCHEMBL3131370

CC(C)(NC(=O)c1cn(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c2ccc(Cl)cc12)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
PLK1 P53350 1/20 0.43
ACLY P53396 2/20 0.40
HTR6 P50406 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HSD17B2 P37059 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SERPINE1 P05121 1/20 0.39
MAPT P10636 1/20 0.39
EPHX2 P34913 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ERAP1 Q9NZ08 2/20 0.38

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
SCHEMBL3133901 0.88 PLK1 (0.55) FLT1FLT4KDRPLK1ACLY
SCHEMBL3132165 0.86 AKR1C3 (0.50) FLT1FLT4KDRPLK1ACLY
SCHEMBL3141520 0.85 FLT1 (0.47) FLT1FLT4KDRPLK1ACLY
SCHEMBL3137579 0.83 FLT1 (0.46) FLT1FLT4KDRACLYHTR6
SCHEMBL3145976 0.81 HDAC1 (0.48) FLT1FLT4KDRACLYHTR6
SCHEMBL3132217 0.78 ACLY (0.60) FLT1FLT4KDRACLYHTR6
SCHEMBL3146270 0.77 ACLY (0.55) ACLYHTR6LMNA
SCHEMBL3367219 0.77 MEN1 (0.45) FLT1FLT4KDRACLYHTR6
SCHEMBL13449339 0.77 CACNA1H (0.50) KMT2AKDM4EERAP1
SCHEMBL3133970 0.77 ACLY (0.54) ACLYHTR6KDM4ELMNASMN1; SMN2

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 FLT1 4696/4885FLT4 4756/4885KDR 4849/4885

“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.