SCHEMBL2805907

SCHEMBL2805907

CC(C)Oc1ccc(CC(NC(=O)OC(C)(C)C)C(=O)N(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
CTSS P25774 7/20 0.47
CTSK P43235 6/20 0.47
CTSB P07858 2/20 0.46
CTSL P07711 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
ACE P12821 1/20 0.45
MMP9 P14780 2/20 0.44
MMP8 P22894 2/20 0.44
ABCB1 P08183 1/20 0.44
BCL2 P10415 1/20 0.44
ACACB O00763 2/20 0.44
MMP14 P50281 1/20 0.43
PTPN1 P18031 2/20 0.43
CACNA1B Q00975 1/20 0.43

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
SCHEMBL2805909 1.00 ITGB3 (0.50) ITGB3ITGA2BCTSSCTSKCTSB
SCHEMBL2803395 0.86 ITGB3 (0.65) ITGB3ITGA2BCTSSCTSKCTSB
SCHEMBL2806897 0.85 REN (0.53) ITGB3ITGA2BCTSSCTSKCTSB
SCHEMBL2804669 0.85 KLK5 (0.54) ITGB3ITGA2BCTSSCTSKCTSB
SCHEMBL2806895 0.85 REN (0.53) ITGB3ITGA2BCTSSCTSKCTSB
SCHEMBL2804671 0.85 KLK5 (0.54) ITGB3ITGA2BCTSSCTSKCTSB
SCHEMBL6162882 0.85 CTSS (0.63) ITGB3ITGA2BCTSSCTSKCTSB
SCHEMBL6162894 0.85 CTSS (0.63) ITGB3ITGA2BCTSSCTSKCTSB
SCHEMBL10349213 0.84 HDAC8 (0.54) ITGB3ITGA2BCTSSCTSKCTSB
SCHEMBL6162459 0.84 CTSS (0.50) ITGB3ITGA2BCTSSCTSKCTSB

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 4 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-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
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 ITGB3 1142/4885ITGA2B 1074/4885CTSS 2733/4885
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS HRH4, HRH2, HRH1 ITGB3 1858/4885ITGA2B 1806/4885CTSS 2141/4885

“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.