SCHEMBL566331

SCHEMBL566331

COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)cn(S(=O)(=O)c3ccc(C#CC4(N(C(=O)O)C(C)(C)C)COC(C)(C)OC4)cc3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.47
HDAC2 Q92769 5/20 0.47
HDAC6 Q9UBN7 5/20 0.47
HDAC8 Q9BY41 3/20 0.47
HDAC11 Q96DB2 2/20 0.47
CA12 O43570 3/20 0.37
CA9 Q16790 3/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
HDAC3 O15379 2/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
TUBB1 Q9H4B7 5/20 0.34
TUBB4A P04350 4/20 0.33
TUBB P07437 4/20 0.33
TUBA3C P0DPH7 4/20 0.33
TUBA1B P68363 4/20 0.33

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
SCHEMBL566573 0.86 HDAC1 (0.46) HDAC1HDAC2HDAC6HDAC8HDAC11
SCHEMBL565896 0.84 HDAC1 (0.47) HDAC1HDAC2HDAC6HDAC8HDAC11
SCHEMBL1562367 0.76 HDAC1 (0.64) HDAC1HDAC2HDAC6HDAC8HDAC11
SCHEMBL566527 0.74 HDAC1 (0.66) HDAC1HDAC2HDAC6HDAC8HDAC11
SCHEMBL565950 0.72 HDAC1 (0.48) HDAC1HDAC2HDAC6HDAC8HDAC11
SCHEMBL564932 0.72 GRM5 (0.33)
SCHEMBL565940 0.70 HDAC1 (0.57) HDAC1HDAC2HDAC6HDAC8HDAC11
SCHEMBL13380524 0.69 HDAC1 (0.56) HDAC1HDAC2HDAC6HDAC8HDAC11
SCHEMBL1563065 0.69 HDAC1 (0.61) HDAC1HDAC2HDAC6HDAC8HDAC11
SCHEMBL564975 0.67 HDAC1 (0.55) HDAC1HDAC2HDAC6HDAC8HDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
EP-2344446-A1 S1P RECEPTORS MODULATORS Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 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-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 HDAC1 1849/4885HDAC2 1755/4885HDAC6 2352/4885

“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.