SCHEMBL20437145

SCHEMBL20437145

COC(=O)[C@H](Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
KLK5 Q9Y337 1/20 0.51
CTSS P25774 6/20 0.48
CTSK P43235 5/20 0.48
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
HDAC8 Q9BY41 1/20 0.45
PTPN1 P18031 1/20 0.45
ACE P12821 1/20 0.44
YAP1 P46937 1/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
EPHX2 P34913 1/20 0.43
ABCB1 P08183 1/20 0.43
BCL2 P10415 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
SCHEMBL6996970 0.89 ITGB3 (0.64) ITGB3ITGA2BCTSSCTSKCTSL
SCHEMBL19851257 0.89 ITGB3 (0.64) ITGB3ITGA2BCTSSCTSKCTSL
SCHEMBL29663697 0.88 ITGB3 (0.52) ITGB3ITGA2BCTSSCTSKCTSL
SCHEMBL14951266 0.88 CTSS (0.58) KLK5CTSSCTSKCTSLCTSB
SCHEMBL22193729 0.87 CTSS (0.53) ITGB3ITGA2BCTSSCTSKCTSL
SCHEMBL13110177 0.87 ALDH1A1 (0.46) ITGB3ITGA2BPPARGMEN1ALDH1A1
SCHEMBL6996966 0.86 ITGB3 (0.50) ITGB3ITGA2BCTSSCTSKCTSL
SCHEMBL2729449 0.85 ITGB3 (0.50) ITGB3ITGA2BKLK5CTSSCTSK
SCHEMBL5408845 0.85 PPARG (0.57) ITGB3ITGA2BKLK5CTSSCTSK
SCHEMBL5408855 0.85 PPARG (0.57) ITGB3ITGA2BKLK5CTSSCTSK

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210393795-A1 COMPOUNDS COMPRISING CLEAVABLE LINKER AND USES THEREOF INTOCELL, INC. (KR) 2021-12-23 US disclosed
US-10954236-B2 Tyrosine amide derivatives as Rho-Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2021-03-23 US disclosed
WO-2020141460-A2 COMPOUNDS COMPRISING CLEAVABLE LINKER AND USES THEREOF INTOCELL, INC. (KR) 2020-07-09 WO disclosed
US-20180215758-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2018-08-02 US disclosed
US-20180215758-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2018-08-02 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 (3 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-10954236-B2 Tyrosine amide derivatives as Rho-Kinase inhibitors ROCK1, ROCK2, CIT ITGB3 2624/4885ITGA2B 2602/4885KLK5 2975/4885
US-20180215758-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, CIT ITGB3 2624/4885ITGA2B 2602/4885KLK5 2975/4885
US-20210393795-A1 COMPOUNDS COMPRISING CLEAVABLE LINKER AND USES THEREOF ANTXR2, VIP, TNFRSF9 ITGB3 2170/4885ITGA2B 1348/4885KLK5 809/4885

“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.