SCHEMBL2428600

SCHEMBL2428600

CC(C)(C)OC(=O)n1cc(-c2ccc(C(=O)CBr)cc2)cn1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.54
GPR119 Q8TDV5 5/20 0.43
GSK3B P49841 6/20 0.43
PTPN1 P18031 4/20 0.43
USP30 Q70CQ3 2/20 0.41
SCD O00767 1/20 0.39
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36

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
SCHEMBL17633410 0.87 ROCK2 (0.44) ROCK2GPR119GSK3BPTPN1USP30
SCHEMBL2426228 0.84 ROCK2 (0.56) ROCK2GPR119USP30SCDMKNK1
SCHEMBL3087005 0.83 ROCK2 (0.60) ROCK2GPR119GSK3BPTPN1USP30
SCHEMBL13267260 0.82 ROCK2 (0.54) ROCK2GPR119USP30SCD
SCHEMBL15742917 0.80 ROCK2 (0.60) ROCK2GPR119GSK3BPTPN1USP30
SCHEMBL13144317 0.80 ROCK2 (0.57) ROCK2GPR119GSK3BPTPN1USP30
SCHEMBL25445548 0.80 ROCK2 (0.56) ROCK2GPR119USP30SCD
SCHEMBL22042387 0.78 ROCK2 (0.55) ROCK2GPR119GSK3BPTPN1USP30
SCHEMBL15742834 0.76 ROCK2 (0.53) ROCK2GPR119USP30SCD
SCHEMBL23615970 0.76 ROCK2 (0.53) ROCK2GPR119GSK3BPTPN1USP30

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
EP-1956013-B1 DIAGNOSTIC AND REMEDY FOR DISEASE CAUSED BY AMYLOID AGGREGATION AND/OR DEPOSITION FUJIFILM RI PHARMA CO LTD (JP) 2016-04-13 EP disclosed
US-8022075-B2 Diagnostic and remedy for disease caused by amyloid aggregation and/or deposition FUJIFILM RI PHARMA CO., LTD. (JP) 2011-09-20 US disclosed
US-20090162283-A1 DIAGNOSTIC AND REMEDY FOR DISEASE CAUSED BY AMYLOID AGGREGATION AND/OR DEPOSITION FUJIFILM RI PHARMA CO., LTD. (JP) 2009-06-25 US disclosed
EP-1956013-A1 DIAGNOSTIC AND REMEDY FOR DISEASE CAUSED BY AMYLOID AGGREGATION AND/OR DEPOSITION Fujifilm RI Pharma Co., Ltd. (JP) 2008-08-13 EP 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-20090162283-A1 DIAGNOSTIC AND REMEDY FOR DISEASE CAUSED BY AMYLOID AGGREGATION AND/OR DEPOSITION APP, TTR, BACE1 ROCK2 4645/4885GPR119 2805/4885GSK3B 2471/4885

“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.