SCHEMBL3011576

SCHEMBL3011576

O=C(O)C[C@@H](CCC1CCCCC1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 4/20 0.39
PPARA Q07869 1/20 0.38
MMP2 P08253 7/20 0.38
MMP1 P03956 6/20 0.38
MMP3 P08254 5/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MMP9 P14780 1/20 0.35
MMP12 P39900 1/20 0.35
RECQL P46063 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
IL6ST P40189 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MMP13 P45452 1/20 0.35

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
SCHEMBL3011570 1.00 IDH1 (0.39) IDH1PPARAMMP2MMP1MMP3
SCHEMBL27757167 1.00 IDH1 (0.39) IDH1PPARAMMP2MMP1MMP3
SCHEMBL5401284 0.94 MMP2 (0.41) IDH1PPARAMMP2MMP1MMP3
SCHEMBL19819289 0.90 MMP2 (0.43) IDH1PPARAMMP2MMP1MMP3
SCHEMBL19819290 0.90 MMP2 (0.43) IDH1PPARAMMP2MMP1MMP3
SCHEMBL19819288 0.90 MMP2 (0.43) IDH1PPARAMMP2MMP1MMP3
SCHEMBL8438051 0.89 MMP2 (0.44) IDH1PPARAMMP2MMP1MMP3
SCHEMBL8438047 0.89 MMP2 (0.44) IDH1PPARAMMP2MMP1MMP3
SCHEMBL7088313 0.89 MMP2 (0.44) IDH1PPARAMMP2MMP1MMP3
SCHEMBL7088311 0.89 MMP2 (0.44) IDH1PPARAMMP2MMP1MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-100478331-C Inhibitors of cathepsin s IRM LLC (BM) 2009-04-15 CN 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
EP-1658267-A4 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2007-08-01 EP disclosed
EP-1658267-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2006-05-24 EP disclosed
US-20050113356-A1 Inhibitors of cathepsin S IRM LLC (BM) 2005-05-26 US disclosed
WO-2005034848-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2005-04-21 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 (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 IDH1 4212/4885PPARA 3398/4885MMP2 101/4885
US-20080108595-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ IDH1 4212/4885PPARA 3398/4885MMP2 101/4885
US-20050113356-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ IDH1 4212/4885PPARA 3398/4885MMP2 101/4885
US-20100204200-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSE, CTSV IDH1 3531/4885PPARA 2508/4885MMP2 209/4885

“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.