SCHEMBL166963

SCHEMBL166963

Cc1cc(C(=O)O)cc(C(=O)N2CCCC2c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.54
HSP90AA1 P07900 1/20 0.54
HSP90AB1 P08238 1/20 0.54
SCD5 Q86SK9 6/20 0.51
SCD O00767 3/20 0.51
ROCK2 O75116 3/20 0.49
CCNC P24863 1/20 0.49
CDK8 P49336 1/20 0.49
PARP14 Q460N5 1/20 0.48
PARP10 Q53GL7 1/20 0.48
PRMT5 O14744 2/20 0.46
WDR77 Q9BQA1 2/20 0.46
TACR1 P25103 1/20 0.46
TRPC3 Q13507 1/20 0.45
TRPC6 Q9Y210 1/20 0.45

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
SCHEMBL256556 0.91 RIPK1 (0.53) RIPK1HSP90AA1HSP90AB1SCD5SCD
SCHEMBL168416 0.88 RIPK1 (0.53) RIPK1HSP90AA1HSP90AB1SCD5SCD
SCHEMBL164387 0.85 PARP14 (0.60) RIPK1HSP90AA1HSP90AB1SCD5SCD
SCHEMBL166804 0.82 NPC1 (0.56)
SCHEMBL167323 0.82 HSP90AA1 (0.47) RIPK1HSP90AA1HSP90AB1SCD5SCD
SCHEMBL716840 0.80 HSP90AA1 (0.45) RIPK1HSP90AA1HSP90AB1SCD5SCD
SCHEMBL18143043 0.80 ROCK2 (0.57) RIPK1HSP90AA1HSP90AB1SCD5SCD
SCHEMBL6266657 0.79 TACR1 (0.47) RIPK1HSP90AA1HSP90AB1SCD5SCD
SCHEMBL8596155 0.78 PARP14 (0.62) RIPK1HSP90AA1HSP90AB1SCD5SCD
SCHEMBL166794 0.78 ROCK2 (0.60) RIPK1HSP90AA1HSP90AB1SCD5SCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611441-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-10 EP disclosed
CN-103079562-A BACE inhibitors for use in the treatment of diabetes HOFFMANN LA ROCHE 2013-05-01 CN disclosed
WO-2012028563-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-08 WO disclosed
WO-2012028563-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-08 WO disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 US disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 US disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 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-20120053200-A1 BACE 2 INHIBITORS BACE2, BACE1, PSEN2 RIPK1 3784/4885HSP90AA1 3048/4885HSP90AB1 1398/4885

“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.