SCHEMBL4649665

SCHEMBL4649665

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Br)cc2C(=O)O)cc1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 5/20 0.74
KDM1A O60341 2/20 0.72
PTPN5 P54829 1/20 0.57
HSD17B2 P37059 5/20 0.54
CCR9 P51686 3/20 0.52
SLC10A2 Q12908 1/20 0.52
SLC10A1 Q14973 1/20 0.52
SLC10A6 Q3KNW5 1/20 0.52
MCL1 Q07820 1/20 0.52
BCL2A1 Q16548 1/20 0.52
UQCRB P14927 1/20 0.51
CCR2 P41597 1/20 0.51
PSD A5PKW4 1/20 0.50

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
SCHEMBL4649661 0.88 METAP2 (0.57) METAP2KDM1AHSD17B2CCR9SLC10A2
SCHEMBL2532893 0.87 ALDH1A1 (0.65) METAP2KDM1AHSD17B2CCR9SLC10A6
SCHEMBL19083016 0.85 METAP2 (1.00) METAP2KDM1ACCR9SLC10A2SLC10A1
SCHEMBL1093574 0.85 CCR9 (0.70) METAP2HSD17B2CCR9CCR2
SCHEMBL7213164 0.84 SLC10A6 (0.71) METAP2KDM1APTPN5HSD17B2SLC10A2
SCHEMBL5925257 0.83 METAP2 (1.00) METAP2KDM1ACCR9SLC10A2SLC10A1
SCHEMBL343780 0.83 CCR9 (0.78) KDM1ACCR9CCR2
SCHEMBL1104720 0.81 PTPN5 (0.58) METAP2KDM1APTPN5HSD17B2UQCRB
SCHEMBL16574547 0.80 CCR9 (0.61) METAP2KDM1ACCR9UQCRB
SCHEMBL3994870 0.80 HSD17B2 (0.54) METAP2KDM1AHSD17B2CCR9UQCRB

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 METAP2 1707/4885KDM1A 2113/4885PTPN5 2362/4885

“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.