SCHEMBL20422385

SCHEMBL20422385

Cc1ccc(S(=O)(=O)n2cc(C)c3c(Oc4ccc(CC(N)C(=O)O)cc4)ccnc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 5/20 0.37
NR1I2 O75469 1/20 0.37
PPARG P37231 1/20 0.37
AGTR2 P50052 1/20 0.37
MEN1 O00255 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC1A3 P43003 4/20 0.36
SLC1A2 P43004 4/20 0.36
SLC1A1 P43005 4/20 0.36
ITGB3 P05106 2/20 0.36
ITGA2B P08514 1/20 0.36
PTPN1 P18031 1/20 0.34
THRA P10827 2/20 0.34
THRB P10828 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
ADAM17 P78536 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGAV P06756 1/20 0.33

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
SCHEMBL20422383 1.00 TPH1 (0.37) TPH1NR1I2PPARGAGTR2MEN1
SCHEMBL20437176 0.91 PTGS2 (0.39) TPH1SLC1A3SLC1A2SLC1A1ITGB3
SCHEMBL20422591 0.88 PPARG (0.36) PPARGKMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL20422592 0.88 PPARG (0.36) PPARGKMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL23072668 0.86 TDP1 (0.44) PPARGL3MBTL1PTGDR2
SCHEMBL20437155 0.83 ITGB3 (0.44) PPARGMEN1KMT2AITGB3ITGA2B
SCHEMBL20437156 0.83 ITGB3 (0.44) PPARGMEN1KMT2AITGB3ITGA2B
SCHEMBL23072642 0.83 ITGB3 (0.44) PPARGMEN1KMT2AITGB3ITGA2B
SCHEMBL20437178 0.83 PKM (0.34) MEN1KMT2AITGB3L3MBTL1ITGB1
SCHEMBL20437152 0.79 BCL2 (0.40) MEN1KMT2AITGB3ITGA2BPTPN1

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
EP-3573987-B1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARM SPA (IT) 2021-03-10 EP disclosed
US-20200079774-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2020-03-12 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 TPH1 1003/4885NR1I2 2386/4885PPARG 3026/4885
US-20200079774-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, CIT TPH1 1003/4885NR1I2 2386/4885PPARG 3026/4885
US-20180215758-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, CIT TPH1 1003/4885NR1I2 2386/4885PPARG 3026/4885

“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.