SCHEMBL575036

SCHEMBL575036

CCCCCCCCc1ccc2c(c1)CCN2CC1(NC(=O)O)COC(C)(C)OC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.49
ADRB2 P07550 3/20 0.37
ADRB1 P08588 3/20 0.37
ADRB3 P13945 3/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
CASP7 P55210 1/20 0.36
SMAD3 P84022 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TRIM24 O15164 1/20 0.36

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
SCHEMBL566293 0.95 S1PR1 (0.43) S1PR1TP53MAPTGAAKDM4E
SCHEMBL566155 0.86 MOGAT2 (0.40) S1PR1PLK1PLK3KAT8PPARA
SCHEMBL565911 0.84 MOGAT2 (0.45) S1PR1PLK1PLK3KAT8MOGAT2
SCHEMBL564864 0.82 NOTUM (0.34) MAPTGAAKDM4EMEN1ALDH1A1
SCHEMBL566313 0.82 S1PR1 (0.47) S1PR1PLK1PLK3KAT8PPARA
SCHEMBL566060 0.80 PRKCG (0.35) MAPTKDM4EHSD17B10KAT8PPARA
SCHEMBL566312 0.79 S1PR1 (0.40) S1PR1PLK1PLK3KAT8PPARA
SCHEMBL566485 0.77 S1PR1 (0.36) S1PR1MAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL564904 0.77 S1PR1 (0.46) S1PR1PLK1
SCHEMBL177319 0.75 SPHK1 (0.43) S1PR1PLK1PLK3SPHK1SPHK2

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 1/4885ADRB2 251/4885ADRB1 132/4885

“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.