SCHEMBL566485

SCHEMBL566485

CCCc1ccc2oc(COc3ccc4c(c3)CCN4CC3(NC(=O)O)COC(C)(C)OC3)cc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.36
KMT2A Q03164 5/20 0.36
POLB P06746 5/20 0.36
MEN1 O00255 4/20 0.36
RAB9A P51151 10/20 0.34
NPC1 O15118 9/20 0.34
HSP90AA1 P07900 2/20 0.34
MAPT P10636 5/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
ALDH1A1 P00352 3/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HDAC6 Q9UBN7 2/20 0.33
MAPK1 P28482 2/20 0.32
TSHR P16473 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL565811 0.81 S1PR1 (0.58) S1PR1KMT2APOLBMEN1RAB9A
SCHEMBL575036 0.77 S1PR1 (0.49) S1PR1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL813782 0.76 S1PR1 (0.49) S1PR1KMT2APOLBMEN1RAB9A
SCHEMBL566696 0.75 S1PR1 (0.62) S1PR1KMT2APOLBMEN1RAB9A
SCHEMBL564864 0.74 NOTUM (0.34) KMT2APOLBMEN1RAB9ANPC1
SCHEMBL566357 0.73 THRB (0.45) KMT2APOLBMEN1MAPTSMN1; SMN2
SCHEMBL566293 0.72 S1PR1 (0.43) S1PR1KMT2AMEN1MAPTALDH1A1
SCHEMBL566494 0.68 CARM1 (0.53) S1PR1L3MBTL1
SCHEMBL565919 0.67 CHRM2 (0.38) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL565044 0.65 ESR2 (0.42) RAB9ANPC1MAPTMAPK1

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 S1PR1 1/4885KMT2A 2555/4885POLB 4275/4885

“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.