SCHEMBL20437165

SCHEMBL20437165

Cc1ccc(S(=O)(=O)n2cc(C)c3c(Oc4ccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc5ccccc5)cc4F)ccnc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.42
NTRK1 P04629 1/20 0.39
KLK7 P49862 1/20 0.39
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
BCL2 P10415 4/20 0.36
PTPN1 P18031 1/20 0.36
CTSS P25774 3/20 0.36
CTSK P43235 3/20 0.36
CTSB P07858 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SCN9A Q15858 1/20 0.36
USP30 Q70CQ3 2/20 0.35
MET P08581 1/20 0.35
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35

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
SCHEMBL20437159 1.00 HDAC8 (0.42) HDAC8NTRK1KLK7MEN1POLB
SCHEMBL20422614 0.93 MET (0.38) POLBUSP30METF2PRSS1
SCHEMBL20422613 0.93 MET (0.38) POLBUSP30METF2PRSS1
SCHEMBL20437153 0.91 MEN1 (0.42) KLK7MEN1POLBKMT2AALDH1A1
SCHEMBL20437151 0.89 MEN1 (0.37) KLK7MEN1POLBKMT2ABCL2
SCHEMBL20437163 0.89 MEN1 (0.44) HDAC8NTRK1KLK7MEN1POLB
SCHEMBL20437164 0.87 KLK7 (0.39) KLK7MEN1POLBKMT2AALDH1A1
SCHEMBL20439485 0.87 HDAC8 (0.42) HDAC8NTRK1PTPN1CTSSCTSK
SCHEMBL23799254 0.85 MEN1 (0.41) KLK7MEN1POLBKMT2AALDH1A1
SCHEMBL23799253 0.85 MEN1 (0.41) KLK7MEN1POLBKMT2AALDH1A1

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 HDAC8 745/4885NTRK1 3336/4885KLK7 4095/4885
US-20180215758-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, CIT HDAC8 745/4885NTRK1 3336/4885KLK7 4095/4885

“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.