SCHEMBL2351039

SCHEMBL2351039

Cc1cc(F)c(-c2ccc(Cl)cc2)cc1C1=C(O)[C@]2(CC[C@@](O)(C(F)(F)F)CC2)NC1=O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 12/20 0.60
▸ ACACA Q13085 12/20 0.60
▸ MGAT2 Q10469 1/20 0.32
▸ DAPK3 O43293 1/20 0.31
▸ NTRK1 P04629 1/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ ROCK1 Q13464 1/20 0.31
▸ CLK4 Q9HAZ1 1/20 0.31
▸ FASN P49327 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
SCHEMBL14689900 1.00 ACACB (0.60) ACACBACACAMGAT2DAPK3NTRK1
SCHEMBL14700736 1.00 ACACB (0.60) ACACBACACAMGAT2DAPK3NTRK1
SCHEMBL14700742 0.93 ACACB (0.56) ACACBACACA
SCHEMBL14689867 0.93 ACACB (0.56) ACACBACACA
SCHEMBL2354580 0.93 ACACB (0.56) ACACBACACA
SCHEMBL2351011 0.87 ACACB (0.77) ACACBACACAMGAT2NTRK1FLT3
SCHEMBL14700732 0.87 ACACB (0.77) ACACBACACAMGAT2NTRK1FLT3
SCHEMBL14689370 0.87 ACACB (0.77) ACACBACACAMGAT2NTRK1FLT3
SCHEMBL2354198 0.86 ACACB (0.78) ACACBACACAMGAT2DAPK3NTRK1
SCHEMBL14689257 0.83 ACACB (0.65) ACACBACACAMGAT2DAPK3NTRK1

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 6 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 claimed
EP-2536686-A1 CYCLIC KETO-ENOLS FOR THERAPY Bayer Intellectual Property GmbH (DE) 2012-12-26 — — EP claimed
WO-2011098433-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-18 — — WO claimed
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 541/4885MGAT2 761/4885

“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.

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