SCHEMBL5400731

SCHEMBL5400731

C[C@H]1Oc2ccccc2N(F)C(=O)[C@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.41
ACE P12821 3/20 0.41
KMT2A Q03164 1/20 0.39
RIPK1 Q13546 2/20 0.38
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
GAA P10253 1/20 0.37
NAAA Q02083 1/20 0.37

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
SCHEMBL1561640 0.87 MME (0.43) MMEACERIPK1
SCHEMBL8432066 0.82 ACE (0.63) MMEACEKMT2A
SCHEMBL7349910 0.82 ACE (0.63) MMEACEKMT2A
SCHEMBL5550815 0.81 MME (0.50) MMEACEKMT2ARIPK1NAAA
SCHEMBL1562300 0.79 XIAP (0.48) MMEACEKMT2A
SCHEMBL1562586 0.77 RIPK1 (0.41) RIPK1
SCHEMBL1562084 0.77 RIPK1 (0.43) RIPK1
SCHEMBL19224598 0.77 RIPK1 (0.57) RIPK1
SCHEMBL29415797 0.77 RIPK1 (0.57) RIPK1
SCHEMBL19224601 0.77 RIPK1 (0.57) RIPK1

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
EP-1828151-A2 MALONAMIDE DERIVATIVES AS INHIBITORS OF GAMMA-SECRETASE FOR THE TREATMENT OF ALZHEIMER'S DISEASE F.HOFFMANN-LA ROCHE AG (CH) 2007-09-05 EP disclosed
US-7211573-B2 Malonamide derivatives HOFFMANN-LA ROCHE INC. (US) 2007-05-01 US disclosed
WO-2006061136-A2 MALONAMIDE DERIVATIVES AS INHIBITORS OF GAMMA-SECRETASE FOR THE TREATMENT OF ALZHEIMER’S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2006-06-15 WO disclosed
US-20060122168-A1 Malonamide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-06-08 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-20060122168-A1 Malonamide derivatives ACE, REN, ME1 MME 6/4885ACE 1/4885KMT2A 2245/4885

“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.