SCHEMBL2350674

SCHEMBL2350674

COC(=O)[C@]1(NC(=O)Cc2cc(-c3ccc(F)c(F)c3)ccc2C)CC[C@H](C(F)(F)F)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.40
ACACA Q13085 3/20 0.40
SLC6A3 Q01959 1/20 0.36
PTGER2 P43116 3/20 0.35
BDKRB1 P46663 4/20 0.33
CNR1 P21554 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
FFAR1 O14842 4/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C8 P10632 1/20 0.32
PPARG P37231 1/20 0.32
KIT P10721 1/20 0.32
GRIN2B Q13224 1/20 0.31
APP P05067 1/20 0.31
CYP2C9 P11712 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
SCHEMBL14689554 1.00 ACACB (0.40) ACACBACACASLC6A3PTGER2BDKRB1
SCHEMBL12458137 1.00 ACACB (0.40) ACACBACACASLC6A3PTGER2BDKRB1
SCHEMBL12458124 0.91 ACACB (0.45) ACACBACACASLC6A3
SCHEMBL2350333 0.91 ACACB (0.45) ACACBACACASLC6A3
SCHEMBL14689690 0.91 ACACB (0.45) ACACBACACASLC6A3
SCHEMBL12478443 0.84 FFAR4 (0.34) ACACBACACACNR1MEN1KMT2A
SCHEMBL2350641 0.84 SCN9A (0.32) ACACBACACA
SCHEMBL12458140 0.84 FFAR4 (0.34) ACACBACACACNR1MEN1KMT2A
SCHEMBL14689274 0.84 FFAR4 (0.34) ACACBACACACNR1MEN1KMT2A
SCHEMBL14700644 0.84 ACACB (0.39) ACACBACACABDKRB1CNR1FFAR1

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 541/4885SLC6A3 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.