SCHEMBL2247351

SCHEMBL2247351

Cc1cccc(CN[C@@H](CCC(N)=O)C(=O)OC(=O)c2ccc(-c3cccc(CBr)c3)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
HSD17B2 P37059 2/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 1/20 0.36
HSD17B1 P14061 1/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36

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
SCHEMBL2244761 0.92 F2 (0.38) HSD17B2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2247824 0.89 POLB (0.37) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL2244873 0.88 NPC1 (0.41) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL2249304 0.86 MAOB (0.40) HSD17B2KDM4EALDH1A1LMNAPOLB
SCHEMBL2242484 0.86 MAOB (0.41) HSD17B2CYP3A4CYP2D6CYP2C9MAPK1
SCHEMBL2249551 0.85 MAPT (0.43) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL2251017 0.83 MRGPRX4 (0.41) FFAR1
SCHEMBL2247306 0.83 MAOB (0.39) HSD17B2FFAR1
SCHEMBL4370877 0.81 AOC3 (0.39) KDM4EF10PRSS1BCL2FFAR1
SCHEMBL4361261 0.81 MGLL (0.46) KDM4EUSP2LMNACYP1A2CYP3A4

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
US-7553873-B2 Glutamate aggrecanase inhibitors WYETH (US) 2009-06-30 US claimed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US claimed
US-7998965-B2 Glutamate aggrecanase inhibitors WYETH LLC (US) 2011-08-16 US disclosed
US-20100010012-A1 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2010-01-14 US disclosed
US-7553873-B2 Glutamate aggrecanase inhibitors WYETH (US) 2009-06-30 US disclosed
EP-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP disclosed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US disclosed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 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 (2 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-20100010012-A1 GLUTAMATE AGGRECANASE INHIBITORS ADAMTS5, ADAMTS1, ADAMTS7 CYP4F2 4787/4885CYP4A11 4827/4885HSD17B2 2502/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 CYP4F2 4787/4885CYP4A11 4827/4885HSD17B2 2502/4885

“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.