SCHEMBL9608028

SCHEMBL9608028

Cc1c(F)cccc1CNC(=O)N(C)[C@@H](CCC(=O)NC[C@H](CO)NC(=O)OC(C)(C)C)COC(=O)Nc1cc2cc(F)ccc2cn1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.33
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
ABL1 P00519 3/20 0.31
PTPN1 P18031 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
SCN10A Q9Y5Y9 1/20 0.30

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
SCHEMBL10278344 1.00 SCN9A (0.33) SCN9AGSK3BDYRK1AAAK1ABL1
SCHEMBL9607998 0.94 SCN9A (0.33) SCN9AGSK3BDYRK1AAAK1ABL1
SCHEMBL2724552 0.94 SCN9A (0.32) SCN9AGSK3BDYRK1AAAK1PTPN1
SCHEMBL212278 0.94 SCN9A (0.32) SCN9AGSK3BDYRK1AAAK1PTPN1
SCHEMBL14734323 0.92 SCN9A (0.32) SCN9AGSK3BDYRK1AAAK1
SCHEMBL211004 0.87 SCN9A (0.33) SCN9AGSK3BDYRK1AAAK1PTPN1
SCHEMBL14734306 0.86 SCN9A (0.32) SCN9AGSK3BDYRK1APTPN1CTSS
SCHEMBL9607846 0.86 ABL1 (0.35) GSK3BDYRK1AABL1
SCHEMBL10278364 0.84 ABL1 (0.34) ABL1
SCHEMBL212277 0.83 CDK9 (0.32) SCN9AGSK3BDYRK1ASCN10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 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 (1 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-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 SCN9A 2543/4885GSK3B 776/4885DYRK1A 4356/4885

“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.