SCHEMBL2248134

SCHEMBL2248134

Cc1cccc(COC(=O)[C@H](CCC(N)=O)NC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
MAPT P10636 6/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK14 Q16539 1/20 0.41
ATM Q13315 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGDS O60760 1/20 0.40
F10 P00742 1/20 0.40
PRSS1 P07477 1/20 0.40

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
SCHEMBL4621148 0.90 MAPT (0.55) MAPTKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL4623235 0.81 RAB9A (0.43) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL4622940 0.79 BCHE (0.44) NPC1RAB9AMAPK14ATMPTPRC
SCHEMBL2249427 0.79 CA2 (0.59) POLBMAPTNPC1RAB9AALDH1A1
SCHEMBL2246525 0.78 NPC1 (0.43) POLBMAPTNPC1RAB9AALDH1A1
SCHEMBL2244945 0.77 PTPRC (0.47) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL7709356 0.75 ACE (0.50) SMN1; SMN2MRGPRX4HPGDSF10PRSS1
SCHEMBL7046023 0.75 ACE (0.60) NPC1RAB9ASMN1; SMN2MRGPRX4TDP1
SCHEMBL2246727 0.75 HPGDS (0.51) POLBMRGPRX4HPGDSF10PRSS1
SCHEMBL4623715 0.73 GPR132 (0.53) ALDH1A1LMNASMN1; SMN2MRGPRX4HPGDS

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP claimed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US claimed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 WO 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 POLB 3997/4885MAPT 1544/4885KDM4E 1232/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 POLB 3997/4885MAPT 1544/4885KDM4E 1232/4885

“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.