SCHEMBL566445

SCHEMBL566445

CC(C)(C)OC(=O)NC1(C#Cc2cccc(I)c2)COC(C)(C)OC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
GRM5 P41594 13/20 0.35
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
PTGES O14684 1/20 0.32
MAPT P10636 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL566007 0.87 PTPN11 (0.34) GRM5
SCHEMBL565982 0.85 GRM5 (0.36) GRM5
SCHEMBL16589997 0.76 ESR1 (0.33) MAPT
SCHEMBL81538 0.73 ACACB (0.35) PTGES
SCHEMBL16589980 0.73 MAOA (0.36)
SCHEMBL16589971 0.73 NPC1 (0.33)
SCHEMBL79070 0.72 SIGMAR1 (0.35)
SCHEMBL2467358 0.72 ALDH1A1 (0.45)
SCHEMBL2468973 0.72 ALDH1A1 (0.45)
SCHEMBL79059 0.72 ALDH1A1 (0.35)

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 DDB1 3543/4885CRBN 3963/4885GRM5 486/4885

“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.