Sugi Predict

Sugi Predict / Compounds / SCHEMBL2807699

SCHEMBL2807699

SCHEMBL2807699

COC(=O)c1ccc(Oc2cccc(CC(NC(=O)OC(C)(C)C)C(=O)N(C)C)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 6/20 0.44
▸ CTSK P43235 5/20 0.44
▸ CTSB P07858 4/20 0.44
▸ CTSL P07711 2/20 0.43
▸ ACE P12821 2/20 0.42
▸ MMP13 P45452 1/20 0.42
▸ SCN9A Q15858 2/20 0.41
▸ FAAH O00519 1/20 0.41
▸ CACNA1B Q00975 1/20 0.41
▸ MME P08473 1/20 0.41
▸ CPA1 P15085 1/20 0.41
▸ ACE2 Q9BYF1 1/20 0.41
▸ PPARG P37231 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ KLK5 Q9Y337 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ PYGL P06737 1/20 0.40
▸ MMP9 P14780 1/20 0.39
▸ MMP8 P22894 1/20 0.39

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
SCHEMBL2804801 0.91 CTSS (0.47) CTSSCTSKCTSBCTSLACE
SCHEMBL2805855 0.83 CTSS (0.51) CTSSCTSKCTSBCTSLACE
SCHEMBL4826858 0.81 ITGB3 (0.50) CTSSCTSKCTSBCTSLACE
SCHEMBL14003050 0.81 ITGB3 (0.50) CTSSCTSKCTSBCTSLACE
SCHEMBL2804402 0.79 SLC7A5 (0.53) MMP13FAAH
SCHEMBL4819360 0.79 LMNA (0.44) CTSSCTSKSCN9APPARGPPARA
SCHEMBL14003076 0.79 LMNA (0.44) CTSSCTSKSCN9APPARGPPARA
SCHEMBL7273142 0.79 ACE (0.65) CTSSCTSKCTSBCTSLACE
SCHEMBL7273147 0.79 ACE (0.65) CTSSCTSKCTSBCTSLACE
SCHEMBL2803380 0.79 CTSS (0.52) CTSSCTSKCTSBCTSLACE

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 10 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

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.