SCHEMBL12440441

SCHEMBL12440441

COC(=O)CC(O)CNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
HPGD P15428 1/20 0.47
EPHX2 P34913 1/20 0.46
RECQL P46063 1/20 0.45
HTT P42858 1/20 0.45
STS P08842 7/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.43
EPHX1 P07099 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL8297739 0.87 PTPN2 (0.46) PTPN2PTPN1PTPN6HPGDEPHX2
SCHEMBL6505355 0.87 PTPN2 (0.46) PTPN2PTPN1PTPN6HPGDEPHX2
SCHEMBL1580316 0.82 HPGD (0.54) PTPN2PTPN1PTPN6HPGDEPHX2
SCHEMBL12440443 0.79 HTT (0.53) PTPN2PTPN1PTPN6HPGDEPHX2
SCHEMBL413795 0.78 HPGD (0.55) PTPN2PTPN1PTPN6HPGDEPHX2
SCHEMBL18768415 0.77 HPGD (0.57) PTPN2PTPN1PTPN6HPGDEPHX2
SCHEMBL9938875 0.76 HPGD (0.56) PTPN2PTPN1PTPN6HPGDRECQL
SCHEMBL1279287 0.76 GPR119 (0.44) HPGDRECQLHTTKMT2AMEN1
SCHEMBL1279822 0.76 GPR119 (0.44) HPGDRECQLHTTKMT2AMEN1
SCHEMBL1279825 0.76 GPR119 (0.44) HPGDRECQLHTTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110177055-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2011-07-21 US disclosed
US-20110177055-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2011-07-21 US disclosed
US-7939547-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2011-05-10 US disclosed
US-7939547-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2011-05-10 US disclosed
EP-2019837-B1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2011-03-23 EP disclosed
WO-2007140117-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2007-12-06 WO disclosed
US-20070276002-A1 Compounds and Compositions as Channel Activating Protease Inhibitors IRM LLC (BM) 2007-11-29 US disclosed
US-20070276002-A1 Compounds and Compositions as Channel Activating Protease Inhibitors IRM LLC (BM) 2007-11-29 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 (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-20070276002-A1 Compounds and Compositions as Channel Activating Protease Inhibitors PRSS1, PRSS8, PRSS2 PTPN2 2313/4885PTPN1 2649/4885PTPN6 3477/4885
US-20110177055-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS PRSS1, PRSS8, PRSS2 PTPN2 2322/4885PTPN1 2645/4885PTPN6 3482/4885

“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.