SCHEMBL566489

SCHEMBL566489

CC(C)(C)OC(=O)NC(CO)(CO)CN1CCc2c(OCc3cc4c(Cl)cc(Cl)cc4o3)cccc21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.49
HTR6 P50406 3/20 0.36
BCHE P06276 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 3/20 0.35
PKM P14618 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.34
KMT2A Q03164 2/20 0.33
AR P10275 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
DRD2 P14416 3/20 0.32
RORC P51449 2/20 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
SCHEMBL566037 0.84 S1PR1 (0.69) S1PR1HTR6SMN1; SMN2ALDH1A1PKM
SCHEMBL7994189 0.58 NOTUM (0.45) S1PR1HTR6BCHEALDH1A1AR
SCHEMBL16379604 0.57 HPGD (0.40) SMN1; SMN2ALDH1A1MAPTLMNAKMT2A
SCHEMBL16379598 0.57 MCL1 (0.45) SMN1; SMN2ALDH1A1MAPTLMNAKMT2A
SCHEMBL566315 0.56 S1PR1 (0.39) S1PR1ALDH1A1
SCHEMBL6823074 0.56 TDP1 (0.46) PKMKMT2AKDM4EMEN1
SCHEMBL25399092 0.55 CTSL (0.42) SMN1; SMN2ALDH1A1PKMMAPTKDM4E
SCHEMBL26257358 0.55 CTSL (0.42) SMN1; SMN2ALDH1A1PKMMAPTKDM4E
SCHEMBL29949477 0.55 CTSL (0.42) SMN1; SMN2ALDH1A1PKMMAPTKDM4E
SCHEMBL5360637 0.55 CA12 (0.41) BCHEALDH1A1MAPTLMNAKDM4E

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 1/4885HTR6 556/4885BCHE 4605/4885

“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.