SCHEMBL566376

SCHEMBL566376

CC1(C)OCC(CN2CCc3c(OCc4cc5c(Cl)cc(Cl)cc5o4)cccc32)(NC(=O)O)CO1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.39
PKM P14618 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 4/20 0.35
LMNA P02545 3/20 0.35
HTR6 P50406 3/20 0.33
BCHE P06276 1/20 0.32
GAA P10253 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30
RAB9A P51151 1/20 0.30
MRGPRX4 Q96LA9 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
SCHEMBL565811 0.84 S1PR1 (0.58) S1PR1ALDH1A1MAPTKMT2ANPC1
SCHEMBL566489 0.75 S1PR1 (0.49) S1PR1PKMSMN1; SMN2ALDH1A1MAPT
SCHEMBL566037 0.74 S1PR1 (0.69) S1PR1PKMSMN1; SMN2ALDH1A1MAPT
SCHEMBL565928 0.73 NOTUM (0.34) ALDH1A1
SCHEMBL564864 0.68 NOTUM (0.34) ALDH1A1MAPTLMNAGAAKMT2A
SCHEMBL566366 0.65 S1PR1 (0.60) S1PR1
SCHEMBL566584 0.64 S1PR1 (0.61) S1PR1
SCHEMBL566415 0.61 S1PR1 (0.58) S1PR1
SCHEMBL566754 0.61 S1PR1 (0.47) S1PR1
SCHEMBL565919 0.61 CHRM2 (0.38) ALDH1A1MAPTLMNAGAAKMT2A

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 1/4885PKM 1515/4885SMN1; SMN2 2442/4885

“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.