SCHEMBL3013798

SCHEMBL3013798

O=C(O)[C@H](CCCc1ccccc1)CC(=O)N1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 3/20 0.60
CTSS P25774 4/20 0.52
CTSL P07711 3/20 0.52
CTSK P43235 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
GRIK1 P39086 1/20 0.49
TSHR P16473 1/20 0.48
MAPT P10636 1/20 0.48
POLB P06746 3/20 0.47
SIGMAR1 Q99720 1/20 0.47
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL3013795 1.00 FKBP1A (0.60) FKBP1ACTSSCTSLCTSKMEN1
SCHEMBL5418393 0.86 FKBP1A (0.53) FKBP1ACTSSCTSLCTSKMEN1
SCHEMBL7291450 0.84 FKBP1A (0.58) FKBP1ACTSLMEN1KMT2AALDH1A1
SCHEMBL7269464 0.84 FKBP1A (0.58) FKBP1ACTSLMEN1KMT2AALDH1A1
SCHEMBL7269457 0.84 FKBP1A (0.58) FKBP1ACTSLMEN1KMT2AALDH1A1
SCHEMBL7068444 0.79 FKBP1A (0.82) FKBP1AALDH1A1TSHRMAPTPOLB
SCHEMBL5954922 0.79 FKBP1A (0.50) FKBP1ACTSSCTSLCTSKMEN1
SCHEMBL5955735 0.79 FKBP1A (0.50) FKBP1ACTSSCTSLCTSKMEN1
SCHEMBL3493060 0.79 DPP4 (0.65) FKBP1ACTSSMEN1KMT2AALDH1A1
SCHEMBL3495048 0.79 DPP4 (0.65) FKBP1ACTSSMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658267-B1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2009-10-14 EP claimed
US-7314872-B2 Inhibitors of cathepsin S IRM LLC (BM) 2008-01-01 US claimed
US-20050113356-A1 Inhibitors of cathepsin S IRM LLC (BM) 2005-05-26 US claimed
US-20100204200-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2010-08-12 US disclosed
US-7732449-B2 Inhibitors of cathepsin S IRM LLC (BM) 2010-06-08 US disclosed
EP-1658267-B1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2009-10-14 EP disclosed
US-20090137570-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2009-05-28 US disclosed
US-7501408-B2 Inhibitors of cathepsin S IRM LLC (BM) 2009-03-10 US disclosed
US-20080108595-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2008-05-08 US disclosed
US-7314872-B2 Inhibitors of cathepsin S IRM LLC (BM) 2008-01-01 US disclosed
US-20050113356-A1 Inhibitors of cathepsin S IRM LLC (BM) 2005-05-26 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 (4 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-20090137570-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ FKBP1A 638/4885CTSS 1/4885CTSL 11/4885
US-20080108595-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ FKBP1A 638/4885CTSS 1/4885CTSL 11/4885
US-20050113356-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ FKBP1A 638/4885CTSS 1/4885CTSL 11/4885
US-20100204200-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSE, CTSV FKBP1A 1297/4885CTSS 1/4885CTSL 11/4885

“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.