SCHEMBL2594364

SCHEMBL2594364

CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cc(Cl)ccc1O2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
ACACB O00763 1/20 0.52
HDAC3 O15379 4/20 0.49
HDAC4 P56524 4/20 0.49
HDAC1 Q13547 4/20 0.49
HDAC7 Q8WUI4 4/20 0.49
HDAC2 Q92769 4/20 0.49
HDAC10 Q969S8 4/20 0.49
HDAC11 Q96DB2 4/20 0.49
HDAC8 Q9BY41 4/20 0.49
HDAC6 Q9UBN7 4/20 0.49
HDAC9 Q9UKV0 4/20 0.49
HDAC5 Q9UQL6 4/20 0.49
ALDH1A1 P00352 7/20 0.48
KDM4E B2RXH2 6/20 0.48
GLA P06280 5/20 0.48
HPGD P15428 4/20 0.48
CASP1 P29466 3/20 0.48
HSD17B10 Q99714 3/20 0.48
CASP7 P55210 2/20 0.48

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
SCHEMBL2588356 0.91 KMT2A (0.50) KMT2AACACBHDAC3HDAC4HDAC1
SCHEMBL30587446 0.90 HDAC3 (0.48) KMT2AACACBHDAC3HDAC4HDAC1
SCHEMBL23928855 0.90 HDAC3 (0.48) KMT2AACACBHDAC3HDAC4HDAC1
SCHEMBL21467195 0.88 KMT2A (0.59) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL3494576 0.88 KMT2A (0.62) KMT2AACACBHDAC3HDAC4HDAC1
SCHEMBL3494575 0.88 KMT2A (0.62) KMT2AACACBHDAC3HDAC4HDAC1
SCHEMBL471290 0.88 KMT2A (0.74) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL1690779 0.87 HSD11B1 (0.60) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL3490895 0.87 KMT2A (0.61) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL308621 0.87 KMT2A (0.61) KMT2AHDAC3HDAC4HDAC1HDAC7

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
EP-2595989-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2013-05-29 EP disclosed
WO-2013067248-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-10 WO disclosed
WO-2011140425-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-10 WO disclosed
US-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors CORBETT JEFFREY WAYNE 2009-10-29 US disclosed
EP-2097420-A1 SPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS Pfizer Products Inc. (US) 2009-09-09 EP disclosed
WO-2008065508-A1 SPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER PRODUCTS INC. (US) 2008-06-05 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-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB KMT2A 2243/4885ACACB 3/4885HDAC3 26/4885

“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.