SCHEMBL6312850

SCHEMBL6312850

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

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.66
LMNA P02545 2/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 2/20 0.51
POLB P06746 2/20 0.51
GPR88 Q9GZN0 3/20 0.48
GRM7 Q14831 2/20 0.47
PTGS2 P35354 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
FPR2 P25090 1/20 0.44

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
SCHEMBL6138013 0.88 MME (0.58) MMELMNAPOLBGPR88GRM7
SCHEMBL16312241 0.86 MME (0.61) MMELMNAGAAHPGDSMN1; SMN2
SCHEMBL20725227 0.86 MME (0.61) MMELMNAGAAHPGDSMN1; SMN2
SCHEMBL7886625 0.83 MME (0.58) MMELMNAGAAHPGDSMN1; SMN2
SCHEMBL7960070 0.82 GPR88 (0.59) MMEGAASMN1; SMN2GPR88PTGS2
SCHEMBL24571671 0.81 GPR88 (0.55) MMELMNAPOLBGPR88GRM7
SCHEMBL4156225 0.81 MME (0.64) MMELMNASMN1; SMN2POLBGPR88
SCHEMBL24571811 0.81 GPR88 (0.55) MMELMNAPOLBGPR88GRM7
SCHEMBL24045909 0.81 CXCR1 (0.64) LMNAGAASMN1; SMN2PTGS2
SCHEMBL24045925 0.81 CXCR1 (0.64) LMNAGAASMN1; SMN2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050159460-A1 Peptide isosteres containing a heterocycle useful in the treatment of alzheimer's disease ELAN PHARMACEUTICALS 2005-07-21 US disclosed
EP-1450795-A1 PEPTIDE ISOSTERES CONTAINING A HETEROCYCLE USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-09-01 EP disclosed
WO-2003047576-A1 PEPTIDE ISOSTERES CONTAINING A HETEROCYCLE USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-06-12 WO disclosed
EP-0603309-A1 PEPTIDE ISOTERS CONTAINING A HETEROCYCLE AS H.I.V. INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1994-06-29 EP disclosed
WO-1993005026-A1 PEPTIDE ISOTERS CONTAINING A HETEROCYCLE AS H.I.V. INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-03-18 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 (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-20050159460-A1 Peptide isosteres containing a heterocycle useful in the treatment of alzheimer's disease BACE1, APP, BACE2 MME 18/4885LMNA 2047/4885GAA 139/4885

“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.