SCHEMBL20437215

SCHEMBL20437215

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Oc2ncnc3[nH]ccc23)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.53
ITGA2B P08514 2/20 0.53
PTPN1 P18031 3/20 0.51
JAK2 O60674 4/20 0.50
TRPA1 O75762 3/20 0.48
SCN9A Q15858 1/20 0.47
ACE P12821 2/20 0.46
CSF1R P07333 1/20 0.45
ITGB1 P05556 1/20 0.44
ITGAV P06756 1/20 0.44
ITGB5 P18084 1/20 0.44
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
BRAF P15056 1/20 0.42
KDR P35968 1/20 0.42
MAPK14 Q16539 1/20 0.42
TNNI3K Q59H18 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42

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
SCHEMBL23072725 0.85 TRPA1 (0.55) JAK2TRPA1CSF1RBRAFKDR
SCHEMBL20439555 0.85 HDAC4 (0.43) PTPN1TRPA1SCN9ACSF1RHDAC8
SCHEMBL20437212 0.85 HDAC4 (0.43) PTPN1TRPA1SCN9ACSF1RHDAC8
SCHEMBL25405894 0.79 KDR (0.58) JAK2TRPA1CSF1RBRAFKDR
SCHEMBL3925152 0.77 ACE (0.65) ITGB3ITGA2BPTPN1SCN9AACE
SCHEMBL2290444 0.77 ACE (0.65) ITGB3ITGA2BPTPN1SCN9AACE
SCHEMBL3713178 0.77 ITGB3 (0.71) ITGB3ITGA2BPTPN1ACEITGB1
SCHEMBL3923929 0.77 ACE (0.65) ITGB3ITGA2BPTPN1SCN9AACE
SCHEMBL3188805 0.77 ITGB3 (0.71) ITGB3ITGA2BPTPN1ACEITGB1
SCHEMBL1000744 0.77 ITGB3 (0.71) ITGB3ITGA2BPTPN1ACEITGB1

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-10954236-B2 Tyrosine amide derivatives as Rho-Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2021-03-23 US disclosed
EP-3573987-B1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARM SPA (IT) 2021-03-10 EP 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
WO-2018138293-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2018-08-02 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-10954236-B2 Tyrosine amide derivatives as Rho-Kinase inhibitors ROCK1, ROCK2, CIT ITGB3 2624/4885ITGA2B 2602/4885PTPN1 644/4885
US-20180215758-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, CIT ITGB3 2624/4885ITGA2B 2602/4885PTPN1 644/4885

“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.