SCHEMBL12458435

SCHEMBL12458435

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.40
ACACA Q13085 2/20 0.40
ANO1 Q5XXA6 1/20 0.35
ATF4 P18848 1/20 0.34
CNR2 P34972 1/20 0.33
SLC6A3 Q01959 2/20 0.33
USP2 O75604 1/20 0.32
SHMT1 P34896 2/20 0.32
SHMT2 P34897 2/20 0.32
ATM Q13315 2/20 0.32
ENPP2 Q13822 1/20 0.31
MCHR1 Q99705 1/20 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
SCHEMBL2349298 1.00 ACACB (0.40) ACACBACACAANO1ATF4CNR2
SCHEMBL14689906 1.00 ACACB (0.40) ACACBACACAANO1ATF4CNR2
SCHEMBL2350333 0.91 ACACB (0.45) ACACBACACAANO1CNR2SLC6A3
SCHEMBL14689690 0.91 ACACB (0.45) ACACBACACAANO1CNR2SLC6A3
SCHEMBL12458124 0.91 ACACB (0.45) ACACBACACAANO1CNR2SLC6A3
SCHEMBL12458497 0.89 ACACB (0.34) ACACBACACAANO1CNR2SLC6A3
SCHEMBL2354533 0.88 ANO1 (0.37) ANO1SLC6A3SHMT1SHMT2
SCHEMBL14689807 0.87 ACACB (0.39) ACACBACACAANO1CNR2SLC6A3
SCHEMBL2353770 0.87 ACACB (0.39) ACACBACACAANO1CNR2SLC6A3
SCHEMBL12457529 0.87 ACACB (0.39) ACACBACACAANO1CNR2SLC6A3

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 4 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
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 541/4885ANO1 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.