SCHEMBL718729

SCHEMBL718729

COc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C=O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACE P12821 10/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49
ACE2 Q9BYF1 7/20 0.48
PPARG P37231 1/20 0.47
HCRTR2 O43614 2/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL6818900 0.85 ALDH1A1 (0.50) ALDH1A1KMT2A
SCHEMBL714622 0.84 NPC1 (0.46) ALDH1A1KMT2AACE2L3MBTL1
SCHEMBL9908470 0.83 ATM (0.47) ACEMEN1ALDH1A1KMT2AACE2
SCHEMBL5525818 0.82 ALDH1A1 (0.47) MEN1ALDH1A1KMT2A
SCHEMBL13508877 0.82 ALDH1A1 (0.49) ACEALDH1A1ACE2ATML3MBTL1
SCHEMBL14434719 0.81 ALDH1A1 (0.43) ALDH1A1KMT2AL3MBTL1
SCHEMBL12949799 0.81 PREP (0.44) KMT2A
SCHEMBL10605848 0.81 ACE (0.62) ACEKMT2AATM
SCHEMBL10605836 0.81 ACE (0.62) ACEKMT2AATM
SCHEMBL7855557 0.78 GPR132 (0.51) ACEACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2389176-A1 NOVEL METABOLIC DISEASE THERAPY The University Of Sydney (AU) 2011-11-30 EP claimed
US-20110253961-A1 Combined Guardrail and Cable Safety Systems TRINITY INDUSTRIES, INC. (US) 2011-10-20 US claimed
WO-2010083570-A1 NOVEL METABOLIC DISEASE THERAPY THE UNIVERSITY OF SYDNEY (AU) 2010-07-29 WO claimed
US-20100081701-A1 FAP inhibitors VANTIA LIMITED (GB) 2010-04-01 US claimed
EP-1919864-A2 FAP INHIBITORS Ferring B.V. (NL) 2008-05-14 EP claimed
WO-2007085895-A2 FAP INHIBITORS FERRING B.V. (US) 2007-08-02 WO claimed
EP-1760076-A1 FAP Inhibitors FERRING B.V. (NL) 2007-03-07 EP claimed
US-8183280-B2 FAP inhibitors VANTIA LIMITED (GB) 2012-05-22 US disclosed
US-8183280-B2 FAP inhibitors VANTIA LIMITED (GB) 2012-05-22 US disclosed
US-20120053222-A1 Novel Metabolic Disease Therapy THE UNIVERSITY OF SYDNEY (AU) 2012-03-01 US disclosed
EP-2389176-A1 NOVEL METABOLIC DISEASE THERAPY The University Of Sydney (AU) 2011-11-30 EP disclosed
US-20110253961-A1 Combined Guardrail and Cable Safety Systems TRINITY INDUSTRIES, INC. (US) 2011-10-20 US disclosed
WO-2010083570-A1 NOVEL METABOLIC DISEASE THERAPY THE UNIVERSITY OF SYDNEY (AU) 2010-07-29 WO disclosed
US-20100081701-A1 FAP inhibitors VANTIA LIMITED (GB) 2010-04-01 US disclosed
US-20100081701-A1 FAP inhibitors VANTIA LIMITED (GB) 2010-04-01 US disclosed
EP-1919864-A2 FAP INHIBITORS Ferring B.V. (NL) 2008-05-14 EP disclosed
WO-2007085895-A2 FAP INHIBITORS FERRING B.V. (US) 2007-08-02 WO disclosed
WO-2007085895-A2 FAP INHIBITORS FERRING B.V. (US) 2007-08-02 WO disclosed
EP-1760076-A1 FAP Inhibitors FERRING B.V. (NL) 2007-03-07 EP disclosed
EP-1760076-A1 FAP Inhibitors FERRING B.V. (NL) 2007-03-07 EP 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 (2 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-20100081701-A1 FAP inhibitors FAP, APC, SERPINB1 ACE 127/4885MEN1 1551/4885ALDH1A1 379/4885
US-20120053222-A1 Novel Metabolic Disease Therapy FAP, G6PC1, FBP1 ACE 191/4885MEN1 2384/4885ALDH1A1 901/4885

“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.