SCHEMBL2805855

SCHEMBL2805855

CN(C)C(=O)C(Cc1cccc(Oc2cccc(C#N)c2)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 14/20 0.51
CTSK P43235 12/20 0.51
CTSB P07858 5/20 0.51
CTSL P07711 3/20 0.50
PTPN1 P18031 1/20 0.43
EGLN2 Q96KS0 1/20 0.42
ACE P12821 1/20 0.42
GPR34 Q9UPC5 1/20 0.42
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40

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
SCHEMBL2806130 0.87 GPR34 (0.48) CTSSCTSKCTSBCTSLACE
SCHEMBL2804801 0.83 CTSS (0.47) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL2807699 0.83 CTSS (0.44) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL23742817 0.81 CTSS (0.56) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL15886478 0.80 CTSS (0.48) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL19193008 0.80 CTSS (0.48) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL3748888 0.80 CTSS (0.62) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL5067241 0.80 CTSS (0.62) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL29907936 0.80 CTSS (0.62) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL3748882 0.80 CTSS (0.62) CTSSCTSKCTSBCTSLPTPN1

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
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 US disclosed
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 US disclosed
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 US disclosed
WO-2010108059-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTAGONISTS OF THE HISTAMINE H4 RECEPTOR INCYTE CORPORATION (US) 2010-09-23 WO disclosed
WO-2010108059-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTAGONISTS OF THE HISTAMINE H4 RECEPTOR INCYTE CORPORATION (US) 2010-09-23 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 (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-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS HRH4, HRH2, HRH1 CTSS 2733/4885CTSK 2175/4885CTSB 1680/4885
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS HRH4, HRH2, HRH1 CTSS 2141/4885CTSK 1705/4885CTSB 1369/4885

“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.