SCHEMBL2354533

SCHEMBL2354533

COC(=O)C1(NC(=O)Cc2cc(-c3ccc(Cl)cc3)ccc2Cl)CCC(C)CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 1/20 0.37
GHSR Q92847 1/20 0.34
GAA P10253 2/20 0.33
SHMT1 P34896 2/20 0.33
SHMT2 P34897 2/20 0.33
SLC6A3 Q01959 3/20 0.33
TRPV1 Q8NER1 1/20 0.33
TP53 P04637 1/20 0.32
MDM2 Q00987 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
P2RX7 Q99572 1/20 0.32

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
SCHEMBL14689807 0.91 ACACB (0.39) ANO1SHMT1SHMT2SLC6A3
SCHEMBL12457529 0.91 ACACB (0.39) ANO1SHMT1SHMT2SLC6A3
SCHEMBL2353770 0.91 ACACB (0.39) ANO1SHMT1SHMT2SLC6A3
SCHEMBL12458145 0.89 ANO1 (0.38) ANO1SHMT1SHMT2SLC6A3P2RX7
SCHEMBL14689724 0.89 ANO1 (0.38) ANO1SHMT1SHMT2SLC6A3P2RX7
SCHEMBL2350931 0.89 ANO1 (0.38) ANO1SHMT1SHMT2SLC6A3P2RX7
SCHEMBL2353473 0.88 ANO1 (0.39) ANO1SHMT1SHMT2SLC6A3TRPV1
SCHEMBL14689906 0.88 ACACB (0.40) ANO1SHMT1SHMT2SLC6A3
SCHEMBL2349298 0.88 ACACB (0.40) ANO1SHMT1SHMT2SLC6A3
SCHEMBL12458435 0.88 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 3557/4885GHSR 2123/4885GAA 1511/4885

“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.