SCHEMBL565969

SCHEMBL565969

CC1(C)OCC(C#Cc2ccc(I)cc2)(NC(=O)O)CO1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.33
APP P05067 3/20 0.32
ACACB O00763 1/20 0.31
KDM4E B2RXH2 2/20 0.31
XBP1 P17861 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL565982 0.85 GRM5 (0.36) GRM5
SCHEMBL566354 0.77 GRM5 (0.35) GRM5SMN1; SMN2
SCHEMBL564868 0.73 APP (0.32) APP
SCHEMBL16527359 0.71 NPC1 (0.34) APPALDH1A1RAB9AKMT2A
SCHEMBL14721771 0.68 CAPN1 (0.35) APP
SCHEMBL14721770 0.68 CAPN1 (0.35) APP
SCHEMBL2475029 0.66 AR (0.31) ALDH1A1
SCHEMBL15661426 0.63 ADORA3 (0.33) APPKDM4EALDH1A1HPGDRAB9A
SCHEMBL21433768 0.62 KCNA4 (0.33)
SCHEMBL14722404 0.60

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 GRM5 486/4885APP 699/4885ACACB 3042/4885

“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.