SCHEMBL4649539

SCHEMBL4649539

COC(=O)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 17/20 0.67
CCR2 P41597 1/20 0.66
HSD17B2 P37059 2/20 0.64
FLT1 P17948 1/20 0.55
FLT4 P35916 1/20 0.55
KDR P35968 1/20 0.55

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
SCHEMBL2616473 0.88 CCR9 (0.70) CCR9CCR2HSD17B2FLT1FLT4
SCHEMBL1094102 0.88 CCR9 (0.70) CCR9CCR2HSD17B2FLT1FLT4
SCHEMBL1093574 0.88 CCR9 (0.70) CCR9CCR2HSD17B2
SCHEMBL14301144 0.86 CCR9 (0.69) CCR9CCR2HSD17B2
SCHEMBL1291344 0.86 LMNA (0.68) CCR9CCR2
SCHEMBL4649661 0.85 METAP2 (0.57) CCR9CCR2HSD17B2
SCHEMBL1138698 0.85 KDM4E (0.64) CCR9CCR2
SCHEMBL1094267 0.84 CCR9 (0.66) CCR9CCR2HSD17B2FLT1FLT4
SCHEMBL2616472 0.84 CCR9 (0.65) CCR9CCR2HSD17B2
SCHEMBL21999704 0.83 ACLY (0.72) CCR9

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 CCR9 1/4885CCR2 9/4885HSD17B2 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.