SCHEMBL1199787

SCHEMBL1199787

CC(C)(C)[Si](C)(C)OC[C@@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.53
ITGA2B P08514 2/20 0.53
PPARA Q07869 5/20 0.52
ATM Q13315 1/20 0.51
CTSS P25774 4/20 0.51
CTSL P07711 3/20 0.51
CTSB P07858 2/20 0.51
PPARG P37231 2/20 0.50
CTSK P43235 4/20 0.49
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47
KYNU Q16719 1/20 0.46
SYK P43405 1/20 0.46

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
SCHEMBL1199790 1.00 ITGB3 (0.53) ITGB3ITGA2BPPARAATMCTSS
SCHEMBL7513292 1.00 ITGB3 (0.53) ITGB3ITGA2BPPARAATMCTSS
SCHEMBL1199068 0.92 KYNU (0.54) ITGB3ITGA2BATMCTSSCTSL
SCHEMBL1199066 0.92 KYNU (0.54) ITGB3ITGA2BATMCTSSCTSL
SCHEMBL15936883 0.92 KYNU (0.54) ITGB3ITGA2BATMCTSSCTSL
SCHEMBL30801699 0.91 CTSL (0.49) ITGB3ITGA2BATMCTSSCTSL
SCHEMBL17357790 0.89 CTSS (0.50) ITGB3ITGA2BATMCTSSCTSL
SCHEMBL13057155 0.89 CTSK (0.49) ITGB3ITGA2BATMCTSSCTSL
SCHEMBL2863999 0.89 CTSS (0.50) ITGB3ITGA2BATMCTSSCTSL
SCHEMBL20556338 0.88 ITGB3 (0.53) ITGB3ITGA2BPPARAATMCTSS

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
EP-3576743-B1 5-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-5-AZASPIRO[2 5]OCTANE-8-CARBOXYLIC ACID DERIVATIVES AS JAK KINASE INHIBITORS LEO PHARMA AS (DK) 2023-01-18 EP disclosed
US-11274100-B2 EP300/CREBBP inhibitor DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-03-15 US disclosed
US-20210171520-A1 EP300/CREBBP INHIBITOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-06-10 US disclosed
US-10799507-B2 5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxylic acid derivatives as novel JAK kinase inhibitors LEO PHARMA A/S (DK) 2020-10-13 US disclosed
US-7888351-B2 Organic compounds NOVARTIS AG (CH) 2011-02-15 US disclosed
US-20110034462-A1 ORGANIC COMPOUNDS BAESCHLIN DANIEL KASPAR 2011-02-10 US disclosed
US-20090281069-A1 ORGANIC COMPOUNDS BAESCHLIN DANIEL KASPAR 2009-11-12 US disclosed
EP-2007723-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2008-12-31 EP disclosed
WO-2007115821-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-18 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 (5 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-11274100-B2 EP300/CREBBP inhibitor EP300, CREBBP, CREB1 ITGB3 3622/4885ITGA2B 3396/4885PPARA 1332/4885
US-10799507-B2 5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxylic acid derivatives as novel JAK kinase inhibitors JAK3, JAK1, JAK2 ITGB3 1437/4885ITGA2B 4169/4885PPARA 1081/4885
US-20090281069-A1 ORGANIC COMPOUNDS OTC, OAT, SLCO2B1 ITGB3 2562/4885ITGA2B 3088/4885PPARA 880/4885
US-20210171520-A1 EP300/CREBBP INHIBITOR EP300, CREBBP, CREB1 ITGB3 3622/4885ITGA2B 3396/4885PPARA 1332/4885
US-20110034462-A1 ORGANIC COMPOUNDS OTC, OAT, SLCO2B1 ITGB3 2562/4885ITGA2B 3088/4885PPARA 880/4885

“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.