SCHEMBL4622938

SCHEMBL4622938

CCCCCCN(C(=O)c1ccc2c(c1)C(=O)c1ccccc1-2)[C@@H](CCC(=O)O)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.39
HTR2B P41595 1/20 0.39
TTR P02766 1/20 0.39
PTPRC P08575 4/20 0.38
CTSL P07711 1/20 0.38
PTPN13 Q12923 1/20 0.38
CCKBR P32239 3/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
S100A4 P26447 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL2246521 0.91 HTR7 (0.40) HTR7HTR2BTTRPTPRCCTSL
SCHEMBL4621072 0.87 SMN1; SMN2 (0.40) HTR7HTR2BTTRPTPRCCTSL
SCHEMBL4623203 0.83 NPC1 (0.43) HTR7HTR2BTTRPTPRCCTSL
SCHEMBL5652165 0.81 STAT3 (0.42) CCKBRLMNAMAPT
SCHEMBL2248130 0.79 TAS2R14 (0.39) HTR7HTR2BTTRPTPRCCTSL
SCHEMBL2244942 0.76 NPC1 (0.42) HTR7HTR2BTTRPTPRCCTSL
SCHEMBL4621074 0.75 NPC1 (0.40) HTR7HTR2BTTRPTPRCCTSL
SCHEMBL4623232 0.74 HTR7 (0.38) HTR7HTR2BTTRPTPRCCTSL
SCHEMBL5653519 0.71 CYP1A2 (0.44) CCKBRCA12CA1MAPTSMN1; SMN2
SCHEMBL27805475 0.71 TRPM8 (0.46) CA12CA1CA9ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP claimed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 WO claimed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US 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-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 HTR7 2297/4885HTR2B 2096/4885TTR 3326/4885

“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.