SCHEMBL4650448

SCHEMBL4650448

N#Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)c(OC(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 7/20 0.51
TRPV4 Q9HBA0 6/20 0.48
CYP3A4 P08684 2/20 0.45
PPARG P37231 2/20 0.45
ACLY P53396 1/20 0.45
CNR2 P34972 1/20 0.44
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MCL1 Q07820 1/20 0.43
SLC40A1 Q9NP59 1/20 0.42
PGR P06401 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
SCHEMBL4650351 0.79 TRPV4 (0.51) SLC22A12TRPV4CYP3A4PPARGCNR2
SCHEMBL5801365 0.77 PGR (0.50) SLC22A12TRPV4CYP3A4HPGDTSHR
SCHEMBL12584730 0.76 PPARG (0.49) TRPV4CYP3A4PPARG
SCHEMBL4650319 0.76 PSEN1 (0.46) SLC22A12CYP3A4ACLYCNR2SLC40A1
SCHEMBL1082080 0.73 TRPV4 (0.61) SLC22A12TRPV4ACLYPGR
SCHEMBL4649546 0.72 SLC22A12 (0.63) SLC22A12CYP3A4PPARGHPGDTSHR
SCHEMBL14023343 0.71 ACLY (0.44) SLC22A12ACLYPGR
SCHEMBL9657545 0.71 PTGS1 (0.61) SLC22A12TRPV4
SCHEMBL352769 0.70 SLC22A12 (0.41) SLC22A12TRPV4
SCHEMBL3274528 0.70 TRPV4 (0.47) SLC22A12TRPV4

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
US-20080275114-A1 Inhibitors of Ccr9 Activity NOVARTIS AG (CH) 2008-11-06 US claimed
EP-1966131-A1 INHIBITORS OF CCR9 ACTIVITY Novartis Pharma AG (CH) 2008-09-10 EP claimed
WO-2007071443-A1 INHIBITORS OF CCR9 ACTIVITY NOVARTIS AG (CH) 2007-06-28 WO claimed
US-20080275114-A1 Inhibitors of Ccr9 Activity NOVARTIS AG (CH) 2008-11-06 US disclosed
EP-1966131-A1 INHIBITORS OF CCR9 ACTIVITY Novartis Pharma AG (CH) 2008-09-10 EP disclosed
WO-2007071443-A1 INHIBITORS OF CCR9 ACTIVITY NOVARTIS AG (CH) 2007-06-28 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-20080275114-A1 Inhibitors of Ccr9 Activity CCR9, CCR1, CCR4 SLC22A12 2675/4885TRPV4 354/4885CYP3A4 896/4885

“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.