SCHEMBL7266296

SCHEMBL7266296

N[C@@H](c1ccccc1)C(C(=O)O)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.70
DPP4 P27487 2/20 0.56
SRC P12931 1/20 0.50
LMNA P02545 2/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.47
GRM2 Q14416 1/20 0.44
GRM3 Q14832 1/20 0.44
F2 P00734 1/20 0.44
CYP1A2 P05177 1/20 0.42
CTSD P07339 1/20 0.42

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
SCHEMBL7714323 1.00 CYP2D6 (0.70) CYP2D6DPP4SRCLMNAMAPK1
SCHEMBL13931648 1.00 CYP2D6 (0.70) CYP2D6DPP4SRCLMNAMAPK1
SCHEMBL7040718 0.84 ACP3 (0.53) CYP2D6KMT2A
SCHEMBL7824857 0.83 CYP2D6 (1.00) CYP2D6SRCLMNAMAPK1KMT2A
SCHEMBL7815004 0.83 CYP2D6 (1.00) CYP2D6SRCLMNAMAPK1KMT2A
SCHEMBL659768 0.83 CYP2D6 (1.00) CYP2D6SRCLMNAMAPK1KMT2A
SCHEMBL11315838 0.83 CYP2D6 (1.00) CYP2D6SRCLMNAMAPK1KMT2A
SCHEMBL7519804 0.82 CYP2D6 (0.70) CYP2D6DPP4SRCLMNAMAPK1
SCHEMBL2308229 0.82 CYP2D6 (0.70) CYP2D6DPP4SRCLMNAMAPK1
SCHEMBL27818755 0.80 CYP2D6 (0.94) CYP2D6SRCLMNAMAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6521654-B2 For therapy and prophylaxis of rheumatoid arthritis, or of allergic disorders, asthma, inflammation; inhibitors of the adhesion and migration of leucocytes and/or antagonists of adhesion receptor VLA-4 belonging to the integrins group AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-02-18 US disclosed
US-20020143043-A1 Substituted imidazolidine derivatives, their preparation, their use and pharmaceutical preparations including them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2002-10-03 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-20020143043-A1 Substituted imidazolidine derivatives, their preparation, their use and pharmaceutical preparations including them VCAM1, ITGA1, ITGA4 CYP2D6 1024/4885DPP4 2387/4885SRC 1109/4885

“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.