SCHEMBL4650328

SCHEMBL4650328

N#Cc1ccccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 3/20 0.63
PTGES2 Q9H7Z7 1/20 0.60
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
HTT P42858 1/20 0.56
SLC40A1 Q9NP59 2/20 0.52
KIF11 P52732 1/20 0.50
ACLY P53396 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
KDM1A O60341 1/20 0.46
CCR9 P51686 1/20 0.46
HSD11B1 P28845 1/20 0.46
GAA P10253 1/20 0.46
SCN9A Q15858 1/20 0.46
UQCRB P14927 1/20 0.46
HSD17B2 P37059 1/20 0.46

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
SCHEMBL4649581 0.86 HSD17B2 (0.63) SLC22A12RXFP1CCR9UQCRBHSD17B2
SCHEMBL7588697 0.85 PTGES2 (0.74) PTGES2KMT2AMEN1LMNAMAPT
SCHEMBL4650211 0.81 SLC22A12 (0.63) SLC22A12PTGES2LMNAKIF11CYP2D6
SCHEMBL4649590 0.81 SLC22A12 (0.63) SLC22A12PTGES2KIF11ACLYCYP2D6
SCHEMBL6553546 0.81 LMNA (0.64) SLC22A12KMT2AMEN1LMNAMAPT
SCHEMBL14403258 0.78 PTGES2 (0.65) PTGES2KMT2AMEN1LMNAMAPT
SCHEMBL29540970 0.77 KEAP1 (0.68) PTGES2KMT2AMEN1LMNAMAPT
SCHEMBL22233891 0.77 KEAP1 (0.68) PTGES2KMT2AMEN1LMNAMAPT
SCHEMBL8711719 0.77 STAT3 (0.65) KMT2ALMNAMAPTHTTGAA
SCHEMBL13412104 0.77 SLC22A12 (0.49) SLC22A12LMNAMAPTRXFP1CYP2C9

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101341121-A Inhibitors of CCR9 activity NOVARTIS PHARMA AG (CH) 2009-01-07 CN claimed
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
CN-101341121-A Inhibitors of CCR9 activity NOVARTIS PHARMA AG (CH) 2009-01-07 CN disclosed
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 2675/4885PTGES2 2188/4885KMT2A 3843/4885

“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.