SCHEMBL443042

SCHEMBL443042

CC(NC(=O)OC(C)(C)C)C(=O)c1cnc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC3 O15379 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
MGAM O43451 1/20 0.48
HPGDS O60760 3/20 0.45
GABRB1 P18505 1/20 0.43
GABRB2 P47870 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
KDM4E B2RXH2 2/20 0.42
CCR1 P32246 1/20 0.41
TRPA1 O75762 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL413156 1.00 HDAC4 (0.50) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL850925 0.81 GABRB1 (0.59) GABRB1GABRB2KDM4ETRPA1NPC1
SCHEMBL30475688 0.78 MGAM (0.59) MGAMHPGDSTRPV1KDM4EKMT2A
SCHEMBL4770793 0.78 MGAM (0.59) MGAMHPGDSTRPV1KDM4EKMT2A
SCHEMBL23619006 0.78 PPARA (0.48) GABRB1GABRB2PPARA
SCHEMBL15432503 0.78 PPARA (0.48) GABRB1GABRB2PPARA
SCHEMBL3740636 0.78 PPARA (0.48) GABRB1GABRB2PPARA
SCHEMBL2625196 0.76 MGAM (0.65) MGAMHPGDSTRPV1KDM4ECCR1
SCHEMBL12043740 0.75 HPGDS (0.67) MGAMHPGDSKDM4ECCR1MEN1
SCHEMBL3134491 0.75 NNMT (0.49) KDM4ETRPA1MEN1KMT2APPARA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252770-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US disclosed
EP-2097384-B1 INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS ASTRAZENECA AB (SE) 2012-09-12 EP disclosed
EP-2102169-B1 INDAZOLYL AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2012-06-20 EP disclosed
US-8143290-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-20120065173-A1 CHEMICAL COMPOUNDS BERGER MARKUS (DE) 2012-03-15 US disclosed
US-8030340-B2 Moderators of glucocorticoids receptor; antiinflamamtory agents; chronic obstructive pulmonary disease ASTRAZENECA AB (SE) 2011-10-04 US disclosed
US-20110071194-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-24 US disclosed
US-20100197644-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-05 US disclosed
US-7728030-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2010-06-01 US disclosed
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed
US-20080207721-A1 Chemical compounds BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-08-28 US 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 (6 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-20080214641-A1 Chemical compounds 572 ABCG2, ABCB1, CYP11B2 HDAC4 1247/4885HDAC1 449/4885HDAC3 159/4885
US-20100197644-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 HDAC4 1247/4885HDAC1 449/4885HDAC3 159/4885
US-20080207721-A1 Chemical compounds NR3C1, NR3C2, MC2R HDAC4 2182/4885HDAC1 833/4885HDAC3 716/4885
US-20120252770-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 HDAC4 1247/4885HDAC1 449/4885HDAC3 159/4885
US-20120065173-A1 CHEMICAL COMPOUNDS NR3C1, NR3C2, MC2R HDAC4 2178/4885HDAC1 807/4885HDAC3 700/4885
US-20110071194-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 HDAC4 1247/4885HDAC1 449/4885HDAC3 159/4885

“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.