SCHEMBL566651

SCHEMBL566651

CCCCCCCCc1ccc2c(c1)CCCN2CC(N)(CO)CO

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.87
TNNC1 P63316 6/20 0.48
S1PR3 Q99500 6/20 0.48
S1PR4 O95977 4/20 0.48
S1PR5 Q9H228 3/20 0.48
SGPL1 O95470 1/20 0.48
GPR183 P32249 1/20 0.48
CERS2 Q96G23 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
CASP1 P29466 1/20 0.47
HTT P42858 1/20 0.47
CASP7 P55210 1/20 0.47
SMAD3 P84022 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL566250 0.93 S1PR1 (1.00) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL566420 0.78 S1PR1 (0.74) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL565912 0.76 S1PR1 (0.83) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL565920 0.75 S1PR1 (1.00) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL566252 0.72 S1PR1 (0.64) S1PR1LMNATP53MAPT
SCHEMBL14196340 0.71 S1PR1 (0.52) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL14206162 0.71 S1PR1 (0.52) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL14195974 0.71 S1PR1 (0.52) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL14196344 0.71 S1PR1 (0.52) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL14206164 0.71 S1PR1 (0.52) S1PR1TNNC1S1PR3S1PR4S1PR5

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 12 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 claimed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US claimed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO claimed
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
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
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 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
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 1/4885TNNC1 4849/4885S1PR3 3/4885

“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.