SCHEMBL4762115

SCHEMBL4762115

O=C(O)NC(Cc1ccc2ccccc2c1)C(=O)NC1CCCNC[C@@H]1O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 8/20 0.46
F2 P00734 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
TACR1 P25103 3/20 0.42
MME P08473 2/20 0.41
ACE P12821 2/20 0.41
CPA1 P15085 2/20 0.41
ACE2 Q9BYF1 2/20 0.41
CASP1 P29466 1/20 0.41
CASP3 P42574 1/20 0.41
CASP6 P55212 1/20 0.41
CASP8 Q14790 1/20 0.41
CTSB P07858 3/20 0.41
CTSS P25774 3/20 0.41
CTSL P07711 2/20 0.41
CTSK P43235 2/20 0.41

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
SCHEMBL4762112 1.00 BDKRB2 (0.46) BDKRB2F2MMP9MMP8TACR1
SCHEMBL4763256 0.89 ALDH1A1 (0.45) CTSL
SCHEMBL4763260 0.89 ALDH1A1 (0.45) CTSL
SCHEMBL4762118 0.77 SLC6A2 (0.36)
SCHEMBL3956512 0.73 CTSK (0.40) CASP1CASP3CASP6CASP8CTSK
SCHEMBL3956504 0.73 CTSK (0.40) CASP1CASP3CASP6CASP8CTSK
SCHEMBL4769110 0.72 CPB2 (0.42) CTSBCTSSCTSLCTSK
SCHEMBL4769116 0.72 CPB2 (0.42) CTSBCTSSCTSLCTSK
SCHEMBL9382602 0.72 ALDH1A1 (0.52) CTSL
SCHEMBL9382599 0.72 ALDH1A1 (0.52) CTSL

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-1320370-A4 METHOD OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
EP-1320370-A1 METHOD OF TREATMENT SmithKline Beecham Corporation (US) 2003-06-25 EP disclosed
US-20030044399-A1 Method of treatment SMITHKLINE BEECHAM CORPORATION 2003-03-06 US disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 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-20030044399-A1 Method of treatment DNPEP, PEPD, ANPEP BDKRB2 1670/4885F2 1061/4885MMP9 125/4885

“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.