SCHEMBL20437176

SCHEMBL20437176

COC(=O)[C@@H](N)Cc1ccc(Oc2ccnc3c2c(C)cn3S(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.39
ALDH1A1 P00352 1/20 0.34
ITGB3 P05106 2/20 0.34
ITGAV P06756 2/20 0.34
ITGB1 P05556 1/20 0.34
ITGA5 P08648 1/20 0.34
P2RX3 P56373 1/20 0.34
PKM P14618 1/20 0.33
ALOX5 P09917 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
PDGFRA P16234 1/20 0.32
KDR P35968 1/20 0.32
EGFR P00533 1/20 0.32
TPH1 P17752 1/20 0.32

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
SCHEMBL20422385 0.91 TPH1 (0.37) ITGB3ITGAVITGB1ITGA5L3MBTL1
SCHEMBL20422383 0.91 TPH1 (0.37) ITGB3ITGAVITGB1ITGA5L3MBTL1
SCHEMBL20437178 0.88 PKM (0.34) ITGB3ITGAVITGB1ITGA5P2RX3
SCHEMBL20422623 0.85 L3MBTL1 (0.39) PTGS2ALDH1A1ITGB3ITGAVITGB1
SCHEMBL20437150 0.84 BCL2 (0.40) ITGB3ALOX5
SCHEMBL20437152 0.84 BCL2 (0.40) ITGB3ALOX5
SCHEMBL23072668 0.83 TDP1 (0.44) ALDH1A1L3MBTL1
SCHEMBL20806018 0.83 P2RX7 (0.33) P2RX3PKM
SCHEMBL20422591 0.83 PPARG (0.36) ITGB3ITGAVITGB1ITGA5P2RX3
SCHEMBL20422592 0.83 PPARG (0.36) ITGB3ITGAVITGB1ITGA5P2RX3

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-10954236-B2 Tyrosine amide derivatives as Rho-Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2021-03-23 US 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 PTGS2 268/4885ALDH1A1 1979/4885ITGB3 2624/4885
US-20180215758-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, CIT PTGS2 268/4885ALDH1A1 1979/4885ITGB3 2624/4885

“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.