SCHEMBL12458432

SCHEMBL12458432

COC(=O)[C@]1(NC(=O)Cc2cc(-c3ccc(Cl)cc3)ccc2C)CCC[C@H](C(F)(F)F)C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.39
ACACA Q13085 7/20 0.39
SLC6A3 Q01959 1/20 0.32
ANO1 Q5XXA6 1/20 0.32
SHMT1 P34896 1/20 0.32
SHMT2 P34897 1/20 0.32
CNR2 P34972 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
THRB P10828 1/20 0.31
PSEN1 P49768 2/20 0.31
PSEN2 P49810 2/20 0.31
APH1B Q8WW43 2/20 0.31
NCSTN Q92542 2/20 0.31
APH1A Q96BI3 2/20 0.31
PSENEN Q9NZ42 2/20 0.31

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
SCHEMBL12458497 0.92 ACACB (0.34) ACACBACACASLC6A3ANO1SHMT1
SCHEMBL14690161 0.91 ACACB (0.40) ACACBACACASHMT1SHMT2CNR2
SCHEMBL12458124 0.89 ACACB (0.45) ACACBACACASLC6A3ANO1SHMT1
SCHEMBL2350333 0.89 ACACB (0.45) ACACBACACASLC6A3ANO1SHMT1
SCHEMBL14689690 0.89 ACACB (0.45) ACACBACACASLC6A3ANO1SHMT1
SCHEMBL14689889 0.82 SHMT1 (0.39) ACACBACACASHMT1SHMT2
SCHEMBL2349298 0.81 ACACB (0.40) ACACBACACASLC6A3ANO1SHMT1
SCHEMBL12458435 0.81 ACACB (0.40) ACACBACACASLC6A3ANO1SHMT1
SCHEMBL14689906 0.81 ACACB (0.40) ACACBACACASLC6A3ANO1SHMT1
SCHEMBL15441421 0.81 ACACB (0.45) ACACBACACAANO1SHMT1SHMT2

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
US-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 US 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 541/4885SLC6A3 4718/4885

“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.