SCHEMBL2962212

SCHEMBL2962212

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C#N)cc1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 4/20 0.63
CCR9 P51686 15/20 0.59
SLC22A12 Q96S37 1/20 0.57
CCR2 P41597 1/20 0.54

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
SCHEMBL4649541 0.90 HSD17B2 (0.67) HSD17B2CCR9SLC22A12CCR2
SCHEMBL1130076 0.88 HSD17B2 (0.64) HSD17B2CCR9CCR2
SCHEMBL4649590 0.87 SLC22A12 (0.63) HSD17B2CCR9SLC22A12CCR2
SCHEMBL4651006 0.85 APP (0.57) CCR9SLC22A12CCR2
SCHEMBL4649581 0.81 HSD17B2 (0.63) HSD17B2CCR9SLC22A12
SCHEMBL2970692 0.80 HSD17B2 (0.67) HSD17B2CCR9CCR2
SCHEMBL2616470 0.80 HSD17B2 (0.67) HSD17B2CCR9CCR2
SCHEMBL2968297 0.80 HSD17B2 (0.67) HSD17B2CCR9CCR2
SCHEMBL23141320 0.79 SLC22A12 (0.59) SLC22A12CCR2
SCHEMBL31046878 0.79 SLC22A12 (0.59) SLC22A12CCR2

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 17 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-7781481-B2 N-arylsulfonyl-2,3-dihydro-1H-indoles and the use thereof as CCR9 inhibitors NOVARTIS AG (CH) 2010-08-24 US disclosed
US-7759390-B2 chemokine receptor 9(CCR9) antagonists such as, 5-Chloro-thiophene-2-sulfonic acid (4-cyano-2-methyl-phenyl)-amide, used for treating autimmune and inflammatory diseases, transplantat rejection and cancer NOVARTIS AG (CH) 2010-07-20 US disclosed
US-20080312313-A1 Inhibitors of Ccr9 Activity CARBALLIDO HERRERA JOSE M 2008-12-18 US disclosed
US-20080300295-A1 Inhibitors of Ccr9 Activity NOVARTIS AG (CH) 2008-12-04 US disclosed
US-20080275114-A1 Inhibitors of Ccr9 Activity NOVARTIS AG (CH) 2008-11-06 US disclosed
US-20080269312-A1 Inhibitors of Ccr9 Activity NOVARTIS AG (CH) 2008-10-30 US disclosed
EP-1968966-A1 INHIBITORS OF CCR9 ACTIVITY Novartis AG (CH) 2008-09-17 EP disclosed
EP-1968939-A2 INHIBITORS OF CCR9 ACTIVITY Novartis AG (CH) 2008-09-17 EP disclosed
EP-1966182-A1 INHIBITORS OF CCR9 ACTIVITY Novartis AG (CH) 2008-09-10 EP disclosed
EP-1966131-A1 INHIBITORS OF CCR9 ACTIVITY Novartis Pharma AG (CH) 2008-09-10 EP disclosed
WO-2007071440-A1 INHIBITORS OF CCR9 ACTIVITY NOVARTIS AG (CH) 2007-06-28 WO disclosed
WO-2007071443-A1 INHIBITORS OF CCR9 ACTIVITY NOVARTIS AG (CH) 2007-06-28 WO disclosed
WO-2007071442-A2 INHIBITORS OF CCR9 ACTIVITY NOVARTIS AG (CH) 2007-06-28 WO disclosed
WO-2007071441-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 (4 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-20080312313-A1 Inhibitors of Ccr9 Activity CCR9, CCR1, CCR4 HSD17B2 1594/4885CCR9 1/4885SLC22A12 2659/4885
US-20080300295-A1 Inhibitors of Ccr9 Activity CCR9, CCR1, CCR4 HSD17B2 1969/4885CCR9 1/4885SLC22A12 2846/4885
US-20080269312-A1 Inhibitors of Ccr9 Activity CCR9, CCR1, CCR4 HSD17B2 3145/4885CCR9 1/4885SLC22A12 4049/4885
US-20080275114-A1 Inhibitors of Ccr9 Activity CCR9, CCR1, CCR4 HSD17B2 1512/4885CCR9 1/4885SLC22A12 2675/4885

“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.