SCHEMBL840032

SCHEMBL840032

CC[C@@](CCC(=O)c1ccc(OCc2ccccc2)cc1)(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.50
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
MAOB P27338 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC2 Q92769 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
PPARG P37231 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
SCHEMBL483765 0.86 EGFR (0.53) EGFRMAPTKDM4EMEN1KMT2A
SCHEMBL311818 0.86 EGFR (0.53) EGFRMAPTKDM4EMEN1KMT2A
SCHEMBL2575528 0.82 ALDH1A1 (0.47) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL2727271 0.77 PPARA (0.55) EGFRMAOBPPARGLTA4H
SCHEMBL20876849 0.77 PPARA (0.55) EGFRMAOBPPARGLTA4H
SCHEMBL2714607 0.77 PPARA (0.55) EGFRMAOBPPARGLTA4H
SCHEMBL2009888 0.77 HDAC1 (0.55) EGFRMAPTKDM4EMEN1KMT2A
SCHEMBL2581151 0.77 CHRNA1 (0.36) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL20876893 0.76 LTA4H (0.53) EGFRRAB9ASMN1; SMN2MAOBPPARG
SCHEMBL22362633 0.76 LTA4H (0.53) EGFRRAB9ASMN1; SMN2MAOBPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153623-B2 Compounds Convergence Pharmaceuticals Limited (GB) 2012-04-10 US disclosed
US-8153681-B2 Method of treating epilepsy by administering 5-(4{[(2-fluorophenyl)methyl]oxy}phenyl)prolinamide Convergence Pharmaceuticals Limited (GB) 2012-04-10 US disclosed
US-8143306-B2 Methods of treating bipolar disorders Convergence Pharmaceuticals Limited (GB) 2012-03-27 US disclosed
US-20110098335-A1 NOVEL COMPOUNDS Convergence Pharmaceuticals Limited (GB) 2011-04-28 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-20110098335-A1 NOVEL COMPOUNDS SCN1A, SCN1B, SCNN1B EGFR 4432/4885MAPT 1237/4885KDM4E 2927/4885

“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.