SCHEMBL177462

SCHEMBL177462

CCCCCCCCc1ccc(N2CCN(C(=O)O)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.71
ME2 P23368 1/20 0.52
ME1 P48163 1/20 0.52
ME3 Q16798 1/20 0.52
ALDH1A1 P00352 2/20 0.50
S1PR3 Q99500 3/20 0.49
S1PR4 O95977 2/20 0.49
S1PR5 Q9H228 2/20 0.49
RARB P10826 4/20 0.49
FAAH O00519 1/20 0.49
MGLL Q99685 1/20 0.49
MEN1 O00255 1/20 0.49
RARA P10276 1/20 0.49
MAPT P10636 1/20 0.49
MTOR P42345 1/20 0.49
KMT2A Q03164 1/20 0.49
THRA P10827 1/20 0.47
THRB P10828 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
SCHEMBL12436513 0.86 S1PR1 (0.70) S1PR1ALDH1A1FAAHMGLL
SCHEMBL27466500 0.86 S1PR1 (0.71) S1PR1ALDH1A1RARBMEN1RARA
Bromide SCHEMBL7339318 0.84 S1PR1 (0.70) S1PR1ALDH1A1RARBMEN1RARA
SCHEMBL1279976 0.84 S1PR1 (0.69) S1PR1ALDH1A1RARBMEN1RARA
SCHEMBL177063 0.83 S1PR1 (1.00) S1PR1ALDH1A1S1PR3S1PR4S1PR5
SCHEMBL17107398 0.81 THRA (0.60) ME2ME1ME3ALDH1A1RARB
SCHEMBL19212222 0.79 ME2 (0.50) S1PR1ME2ME1ME3ALDH1A1
SCHEMBL12916429 0.79 ME2 (0.57) S1PR1ME2ME1ME3ALDH1A1
SCHEMBL21280348 0.79 S1PR1 (0.61) S1PR1ALDH1A1FAAHMGLL
SCHEMBL10216409 0.79 S1PR1 (0.61) S1PR1ALDH1A1FAAHMGLLMAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9707205-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2017-07-18 US disclosed
EP-2344484-B1 S1P RECEPTORS MODULATORS AND USE THEREOF AKAAL PHARMA PTY LTD (AU) 2016-06-08 EP disclosed
US-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF AKAAL PHARMA PTY LTD. (AU) 2016-02-11 US disclosed
US-9193716-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2015-11-24 US disclosed
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD. (AU) 2014-03-06 US disclosed
US-8592399-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2013-11-26 US disclosed
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD (AU) 2011-12-29 US disclosed
EP-2344484-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
WO-2010043000-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF 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 (3 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-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF S1PR1, S1PR5, S1PR2 S1PR1 1/4885ME2 4182/4885ME1 4498/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 S1PR1 1/4885ME2 4182/4885ME1 4498/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 S1PR1 1/4885ME2 4188/4885ME1 4617/4885

“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.