SCHEMBL2353473

SCHEMBL2353473

COC(=O)C1(NC(=O)Cc2cc(-c3ccc(Cl)cc3)ccc2Cl)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 3/20 0.39
SHMT1 P34896 2/20 0.37
SHMT2 P34897 2/20 0.37
TRPV1 Q8NER1 2/20 0.36
MAPT P10636 2/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ERAP1 Q9NZ08 2/20 0.35
LPAR1 Q92633 1/20 0.35
ALDH1A1 P00352 1/20 0.34
THRB P10828 1/20 0.34
P2RX7 Q99572 1/20 0.34
ECE1 P42892 1/20 0.34

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
SCHEMBL2348343 0.90 ANO1 (0.38) ANO1SHMT1SHMT2L3MBTL1ALDH1A1
SCHEMBL15466678 0.89 ANO1 (0.38) ANO1SHMT1SHMT2L3MBTL1P2RX7
SCHEMBL2354533 0.88 ANO1 (0.37) ANO1SHMT1SHMT2TRPV1SLC6A3
SCHEMBL2353770 0.87 ACACB (0.39) ANO1SHMT1SHMT2SLC6A3
SCHEMBL12457529 0.87 ACACB (0.39) ANO1SHMT1SHMT2SLC6A3
SCHEMBL14689807 0.87 ACACB (0.39) ANO1SHMT1SHMT2SLC6A3
SCHEMBL12458145 0.86 ANO1 (0.38) ANO1SHMT1SHMT2SLC6A3LPAR1
SCHEMBL2350931 0.86 ANO1 (0.38) ANO1SHMT1SHMT2SLC6A3LPAR1
SCHEMBL14689724 0.86 ANO1 (0.38) ANO1SHMT1SHMT2SLC6A3LPAR1
SCHEMBL14689906 0.85 ACACB (0.40) ANO1SHMT1SHMT2SLC6A3

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 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
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
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 ANO1 3557/4885SHMT1 1267/4885SHMT2 582/4885

“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.