SCHEMBL2244873

SCHEMBL2244873

Cc1cccc(CN[C@@H](CCC(N)=O)C(=O)OC(=O)c2ccc(Br)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
MEP1B Q16820 2/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 4/20 0.37
MAPT P10636 4/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPK1 P28482 2/20 0.37
ATM Q13315 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP2D6 P10635 1/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LRRK2 Q5S007 1/20 0.36
HTT P42858 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
SCHEMBL2247351 0.88 CYP4F2 (0.38) MEP1BPOLBALDH1A1HPGDKDM4E
SCHEMBL2247824 0.87 POLB (0.37) RAB9AMEP1BPOLBALDH1A1MAPT
SCHEMBL2244761 0.87 F2 (0.38) MEP1BPOLBALDH1A1MAPTHPGD
SCHEMBL2249551 0.82 MAPT (0.43) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL2247306 0.81 MAOB (0.39) MAPT
SCHEMBL2247761 0.81 MAPT (0.41) MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2249304 0.81 MAOB (0.40) NPC1RAB9APOLBALDH1A1MAPT
SCHEMBL2242484 0.81 MAOB (0.41) MAPK1TDP1L3MBTL1CYP2D6
SCHEMBL4369490 0.78 KDM4E (0.44) NPC1RAB9APOLBALDH1A1MAPT
SCHEMBL2251017 0.78 MRGPRX4 (0.41)

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-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 NPC1 3103/4885RAB9A 3609/4885MEP1B 2803/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 NPC1 3103/4885RAB9A 3609/4885MEP1B 2803/4885

“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.