SCHEMBL4650319

SCHEMBL4650319

N#Cc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(OC(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.46
PSEN2 P49810 2/20 0.46
APH1B Q8WW43 2/20 0.46
NCSTN Q92542 2/20 0.46
APH1A Q96BI3 2/20 0.46
PSENEN Q9NZ42 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CCR9 P51686 2/20 0.43
SLC22A12 Q96S37 5/20 0.43
PGR P06401 1/20 0.43
TMPRSS4 Q9NRS4 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
ACLY P53396 3/20 0.38
S100A9 P06702 1/20 0.37
TRIM24 O15164 1/20 0.36
MAPT P10636 1/20 0.36
CCR2 P41597 1/20 0.36
SLC40A1 Q9NP59 1/20 0.36

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
SCHEMBL4649601 0.81 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30229910 0.81 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30230247 0.81 CNR2 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5801365 0.80 PGR (0.50) CYP3A4SLC22A12PGRMAPT
SCHEMBL4650448 0.76 SLC22A12 (0.51) CYP3A4SLC22A12PGRCNR2ACLY
SCHEMBL161866 0.75 CACNA1H (0.53) SLC22A12ACLYCCR2
SCHEMBL7589397 0.74 FFAR4 (0.52) CCR9SLC22A12ACLYMAPTCCR2
SCHEMBL7595568 0.74 MEN1 (0.54) CCR9SLC22A12PGRACLYCCR2
SCHEMBL16150577 0.72 BACE2 (0.42) SLC22A12PGRTMPRSS4
SCHEMBL22819242 0.72 BACE2 (0.42) PGR

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.