SCHEMBL12440443

SCHEMBL12440443

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

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
HPGD P15428 1/20 0.50
PTPN2 P17706 1/20 0.50
PTPN1 P18031 1/20 0.50
PTPN6 P29350 1/20 0.50
EPHX2 P34913 1/20 0.48
RECQL P46063 1/20 0.48
STS P08842 7/20 0.46
KMT2A Q03164 1/20 0.46
EPHX1 P07099 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ABL1 P00519 1/20 0.44
RIN1 Q13671 1/20 0.44

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
SCHEMBL31663047 0.84 HPGD (0.52) HPGDPTPN2PTPN1PTPN6EPHX2
SCHEMBL9938875 0.82 HPGD (0.56) HPGDPTPN2PTPN1PTPN6RECQL
SCHEMBL413795 0.81 HPGD (0.55) HPGDPTPN2PTPN1PTPN6EPHX2
SCHEMBL18768415 0.80 HPGD (0.57) HPGDPTPN2PTPN1PTPN6EPHX2
SCHEMBL4243752 0.80 KDM4E (0.49) HPGDPTPN2PTPN1PTPN6RECQL
SCHEMBL12440441 0.79 PTPN2 (0.47) HTTHPGDPTPN2PTPN1PTPN6
SCHEMBL30230001 0.78 MAPT (0.54) HPGDPTPN2PTPN1PTPN6EPHX2
SCHEMBL23466442 0.78 HPGD (0.55) HPGDPTPN2PTPN1PTPN6EPHX2
SCHEMBL22231446 0.78 HPGD (0.55) HPGDPTPN2PTPN1PTPN6EPHX2
SCHEMBL6505355 0.78 PTPN2 (0.46) HTTHPGDPTPN2PTPN1PTPN6

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 HTT 1584/4885HPGD 922/4885PTPN2 2313/4885
US-20110177055-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS PRSS1, PRSS8, PRSS2 HTT 1578/4885HPGD 970/4885PTPN2 2322/4885

“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.