SCHEMBL2353770

SCHEMBL2353770

COC(=O)[C@]1(NC(=O)Cc2cc(-c3ccc(Cl)cc3)ccc2Cl)CC[C@H](OC)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.39
ACACA Q13085 3/20 0.39
ANO1 Q5XXA6 1/20 0.37
SLC6A3 Q01959 4/20 0.36
SLC6A4 P31645 3/20 0.36
BACE1 P56817 5/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
DPP4 P27487 1/20 0.33
SHMT1 P34896 1/20 0.32
SHMT2 P34897 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL12457529 1.00 ACACB (0.39) ACACBACACAANO1SLC6A3SLC6A4
SCHEMBL14689807 1.00 ACACB (0.39) ACACBACACAANO1SLC6A3SLC6A4
SCHEMBL15441421 0.91 ACACB (0.45) ACACBACACAANO1BACE1CNR1
SCHEMBL15447099 0.91 ACACB (0.45) ACACBACACAANO1BACE1CNR1
SCHEMBL2354533 0.91 ANO1 (0.37) ANO1SLC6A3SHMT1SHMT2
SCHEMBL12458145 0.88 ANO1 (0.38) ANO1SLC6A3CNR1SHMT1SHMT2
SCHEMBL2350931 0.88 ANO1 (0.38) ANO1SLC6A3CNR1SHMT1SHMT2
SCHEMBL14689724 0.88 ANO1 (0.38) ANO1SLC6A3CNR1SHMT1SHMT2
SCHEMBL2353473 0.87 ANO1 (0.39) ANO1SLC6A3SHMT1SHMT2
SCHEMBL14689906 0.87 ACACB (0.40) ACACBACACAANO1SLC6A3CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 US disclosed
EP-2536686-A1 CYCLIC KETO-ENOLS FOR THERAPY Bayer Intellectual Property GmbH (DE) 2012-12-26 EP disclosed
WO-2011098433-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-18 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 (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-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY AKR1B1, AKR1C3, AKR1A1 ACACB 310/4885ACACA 541/4885ANO1 3557/4885

“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.