SCHEMBL4649601

SCHEMBL4649601

Cc1cc(C#N)ccc1NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.46
PSEN2 P49810 3/20 0.46
APH1B Q8WW43 3/20 0.46
NCSTN Q92542 3/20 0.46
APH1A Q96BI3 3/20 0.46
PSENEN Q9NZ42 3/20 0.46
CYP2D6 P10635 2/20 0.46
CYP3A4 P08684 1/20 0.46
SLC22A12 Q96S37 2/20 0.46
RXFP1 Q9HBX9 1/20 0.45
CCR9 P51686 2/20 0.43
KIF11 P52732 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
CRBN Q96SW2 1/20 0.42
ACLY P53396 2/20 0.42
IDH1 O75874 1/20 0.41
TMPRSS4 Q9NRS4 1/20 0.40
DDR1 Q08345 1/20 0.40
HSD17B2 P37059 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
SCHEMBL4650319 0.81 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21865747 0.80 RXFP1 (0.55) SLC22A12RXFP1CRBNACLYFFAR4
SCHEMBL7595568 0.77 MEN1 (0.54) SLC22A12CCR9ACLYHSD17B2LMNA
SCHEMBL30230036 0.75 CYP2C9 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL617823 0.74 SLC22A12 (0.51) SLC22A12FFAR4
SCHEMBL4593012 0.74 TNIK (0.48) SLC22A12RXFP1CRBN
SCHEMBL7589345 0.73 MEN1 (0.57) ACLYLMNANPSR1
SCHEMBL20421280 0.72 TSHR (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13615288 0.71 HSD17B2 (0.57) CYP2D6KIF11HSD17B2FFAR4
SCHEMBL16325550 0.71 FFAR4 (0.63) KIF11HSD17B2FFAR4

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 PSEN1 3250/4885PSEN2 3514/4885APH1B 3050/4885

“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.