SCHEMBL2636079

SCHEMBL2636079

CCOC(=O)CC(Cc1ccccc1)NC(=O)CCl

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.51
NCOA1 Q15788 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
MMEL1 Q495T6 2/20 0.51
MMP8 P22894 1/20 0.46
MME P08473 4/20 0.45
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
PPID Q08752 1/20 0.43

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
SCHEMBL4237428 0.84 MMEL1 (0.48) MMEL1MMP8MMETP53HPGD
SCHEMBL4848732 0.82 PPID (0.52) ALDH1A1SMN1; SMN2MMEL1MMP8PPID
SCHEMBL9488182 0.80 TP53 (0.59) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL9488184 0.80 TP53 (0.59) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL8442456 0.80 CYP3A4 (0.48) MMEL1MMP8MME
SCHEMBL16232045 0.80 ATM (0.62) ALDH1A1
SCHEMBL1912540 0.79 MME (0.66) MMEL1MME
SCHEMBL1912537 0.79 MME (0.66) MMEL1MME
SCHEMBL27183269 0.79 MMP8 (0.46) MMEL1MMP8MME
SCHEMBL12999389 0.78 MMEL1 (0.53) MMEL1MMP8MME

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
US-20120220577-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO KGAA 2012-08-30 US disclosed
EP-2438037-A1 GLYCINE B ANTAGONISTS Merz Pharma GmbH & Co. KGaA (DE) 2012-04-11 EP disclosed
WO-2010139481-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2010-12-09 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-20120220577-A1 GLYCINE B ANTAGONISTS GLRB, GRIN2B, GLRA2 ALDH1A1 3645/4885HTT 106/4885NCOA1 4294/4885

“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.