SCHEMBL4650211

SCHEMBL4650211

N#Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.63
CCR9 P51686 3/20 0.53
HSD17B2 P37059 2/20 0.50
KDM1A O60341 2/20 0.50
MCL1 Q07820 1/20 0.48
GPR119 Q8TDV5 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CCR2 P41597 4/20 0.47
CCR1 P32246 1/20 0.47
KIF11 P52732 1/20 0.46
PTGES2 Q9H7Z7 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL4649590 0.90 SLC22A12 (0.63) SLC22A12CCR9HSD17B2KDM1AMCL1
SCHEMBL4649541 0.87 HSD17B2 (0.67) SLC22A12CCR9HSD17B2CCR2
SCHEMBL26537094 0.84 SLC22A12 (0.57) SLC22A12CCR9GPR119LMNA
SCHEMBL7593595 0.84 CCR9 (0.62) CCR9HSD17B2KDM1AMCL1CYP2D6
SCHEMBL4649684 0.83 SLC22A12 (0.54) SLC22A12CCR9CCR2LMNA
SCHEMBL4650328 0.81 SLC22A12 (0.63) SLC22A12CCR9HSD17B2KDM1ACYP2D6
SCHEMBL2962212 0.77 HSD17B2 (0.63) SLC22A12CCR9HSD17B2CCR2
SCHEMBL20552799 0.77 SLC22A12 (0.47) SLC22A12KIF11LMNA
SCHEMBL4649546 0.74 SLC22A12 (0.63) SLC22A12MCL1CCR2LMNA
SCHEMBL10826418 0.74 KDM1A (0.62) CCR9KDM1AMCL1CYP2D6CYP2C9

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 7 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-1603909-A4 LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-09-03 EP disclosed
EP-1603909-A2 LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS Brystol-Myers Squibb Company (US) 2005-12-14 EP disclosed
WO-2004083177-A2 LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS BRYSTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 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 2675/4885CCR9 1/4885HSD17B2 1512/4885

“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.