Sugi Predict

Sugi Predict / Compounds / SCHEMBL2806897

SCHEMBL2806897

SCHEMBL2806897

CC(C)Oc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(N)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 3/20 0.53
▸ ITGB3 P05106 2/20 0.52
▸ ITGA2B P08514 2/20 0.52
▸ CTSS P25774 6/20 0.49
▸ CTSK P43235 5/20 0.49
▸ CTSL P07711 1/20 0.48
▸ CTSB P07858 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.47
▸ ACE P12821 1/20 0.46
▸ ITGB1 P05556 1/20 0.46
▸ ITGAV P06756 1/20 0.46
▸ ITGB5 P18084 1/20 0.46
▸ PTPN1 P18031 2/20 0.45
▸ PTPN22 Q9Y2R2 1/20 0.45
▸ ABCB1 P08183 1/20 0.45
▸ BCL2 P10415 1/20 0.45
▸ ACACB O00763 1/20 0.45

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
SCHEMBL2806895 1.00 REN (0.53) RENITGB3ITGA2BCTSSCTSK
SCHEMBL2803395 0.89 ITGB3 (0.65) ITGB3ITGA2BCTSSCTSKCTSL
SCHEMBL2804669 0.88 KLK5 (0.54) ITGB3ITGA2BCTSSCTSKCTSL
SCHEMBL2804671 0.88 KLK5 (0.54) ITGB3ITGA2BCTSSCTSKCTSL
SCHEMBL20415859 0.87 PPARG (0.56) RENITGB3ITGA2BCTSSCTSK
SCHEMBL28561280 0.87 PPARG (0.56) RENITGB3ITGA2BCTSSCTSK
SCHEMBL10349213 0.86 HDAC8 (0.54) ITGB3ITGA2BCTSSCTSKCTSL
SCHEMBL2805907 0.85 ITGB3 (0.50) ITGB3ITGA2BCTSSCTSKCTSL
SCHEMBL2805909 0.85 ITGB3 (0.50) ITGB3ITGA2BCTSSCTSKCTSL
SCHEMBL5123922 0.85 ITGB3 (0.52) RENITGB3ITGA2BCTSSCTSK

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 9 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

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 REN 1315/4885ITGB3 1142/4885ITGA2B 1074/4885
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS HRH4, HRH2, HRH1 REN 712/4885ITGB3 1858/4885ITGA2B 1806/4885

“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.