SCHEMBL4555983

SCHEMBL4555983

COc1cccc2c1[C@H]1Nc3cc(C#N)ccc3C(C)(C)[C@H]1CS2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.33
AR P10275 3/20 0.33
NR3C2 P08235 2/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
ESRRA P11474 7/20 0.32
ACHE P22303 2/20 0.31
GSK3B P49841 2/20 0.31
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
ESRRB O95718 1/20 0.30
ESR1 P03372 1/20 0.30
ESRRG P62508 1/20 0.30
ESR2 Q92731 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 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
SCHEMBL4598855 1.00 SNCA (0.33) SNCAARNR3C2NR3C1PGR
SCHEMBL4815232 0.83 CREBBP (0.37)
SCHEMBL4629098 0.80 AR (0.34) ARNR3C2NR3C1PGRACHE
SCHEMBL4570013 0.80 AR (0.34) ARNR3C2NR3C1PGRACHE
SCHEMBL4813632 0.80 CREBBP (0.35) PGR
SCHEMBL4565983 0.78
SCHEMBL4814159 0.77 HDAC4 (0.33)
SCHEMBL4445324 0.77 HDAC4 (0.33)
SCHEMBL4866034 0.77 NR3C1 (0.35) ARNR3C2NR3C1PGRESRRA
SCHEMBL4816048 0.77 KMT2A (0.34) SNCAARPGR

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-2125825-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2009-12-02 EP disclosed
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABELMAN MATTHEW 2008-11-27 US disclosed
US-7432276-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-10-07 US disclosed
US-7423045-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-09-09 US disclosed
WO-2008079139-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2008-07-03 WO disclosed
US-20070191379-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-08-16 US disclosed
US-20070010544-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-01-11 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 (3 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-20070191379-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP SNCA 4223/4885AR 3609/4885NR3C2 1416/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP SNCA 4223/4885AR 3609/4885NR3C2 1416/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP SNCA 4223/4885AR 3609/4885NR3C2 1416/4885

“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.