SCHEMBL5899899

SCHEMBL5899899

CCOC(=O)c1sc(-c2ccc(C#N)cc2)nc1C

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 9/20 0.68
DBF4 Q9UBU7 9/20 0.68
TRPM8 Q7Z2W7 5/20 0.57
KDM4E B2RXH2 2/20 0.55
MAPT P10636 2/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.54
FNTA P49354 1/20 0.53
FNTB P49356 1/20 0.53
MEN1 O00255 1/20 0.52
HSP90AA1 P07900 1/20 0.52
CRHBP P24387 1/20 0.52
KMT2A Q03164 1/20 0.52
CRHR2 Q13324 1/20 0.52
PTPN11 Q06124 1/20 0.49

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
SCHEMBL289827 0.89 KDM4E (0.56) CDC7DBF4TRPM8KDM4EMAPT
SCHEMBL8343599 0.88 GAA (0.51) CDC7DBF4TRPM8KDM4EMAPT
SCHEMBL5937216 0.88 PTPN11 (0.58) CDC7DBF4TRPM8KDM4EMAPT
SCHEMBL5937223 0.85 PTPN11 (0.53) CDC7DBF4TRPM8KDM4EMAPT
SCHEMBL892889 0.85 CDC7 (0.77) CDC7DBF4TRPM8KDM4EMAPT
SCHEMBL8345836 0.84 MAPT (0.58) CDC7DBF4TRPM8KDM4EMAPT
SCHEMBL28297246 0.84 CDC7 (0.71) CDC7DBF4TRPM8KDM4EMAPT
SCHEMBL290384 0.84 CDC7 (0.75) CDC7DBF4TRPM8KDM4EMAPT
SCHEMBL5937394 0.83 PTPN11 (0.57) CDC7DBF4TRPM8KDM4EMAPT
SCHEMBL2823339 0.83 CDC7 (0.73) CDC7DBF4TRPM8KDM4EMAPT

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
US-20060122432-A1 Aryl piperidine derivatives and use thereof to reduce elevated levels of ldl-cholesterol GLAXO GROUP LIMITED (GB) 2006-06-08 US disclosed
US-20060052384-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression for the treatment of hypercholesterolemia GLAXO GROUP LIMITED (GB) 2006-03-09 US disclosed
EP-1539158-A1 ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA GLAXO GROUP LIMITED (GB) 2005-06-15 EP disclosed
EP-1534280-A1 ARYL PIPERIDINE DERIVATIVES AND USE THEREOF TO REDUCE ELEVATED LEVELS OF LDL-CHOLESTEROL GLAXO GROUP LIMITED (GB) 2005-06-01 EP disclosed
WO-2004006922-A1 ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA GLAXO GROUP LIMITED (GB) 2004-01-22 WO disclosed
WO-2004006924-A1 ARYL PIPERIDINE DERIVATIVES AND USE THEREOF TO REDUCE ELEVATED LEVELS OF LDL-CHOLESTEROL GLAXO GROUP LIMITED (GB) 2004-01-22 WO disclosed
WO-2004006923-A1 ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA GLAXO GROUP LIMITED (GB) 2004-01-22 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-20060122432-A1 Aryl piperidine derivatives and use thereof to reduce elevated levels of ldl-cholesterol LDLR, NR1H2, NR1H3 CDC7 4404/4885DBF4 3817/4885TRPM8 1654/4885
US-20060052384-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression for the treatment of hypercholesterolemia LDLR, NR1H2, NR1H3 CDC7 3840/4885DBF4 3867/4885TRPM8 719/4885

“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.