SCHEMBL177524

SCHEMBL177524

CCCCCCCCc1ccc(CNC(=O)NCC(=O)OCC)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPID Q08752 5/20 0.67
PPIB P23284 1/20 0.67
PPIA P62937 1/20 0.67
PPIG Q13427 1/20 0.67
SPHK1 Q9NYA1 2/20 0.49
S1PR1 P21453 4/20 0.47
S1PR3 Q99500 4/20 0.47
S1PR2 O95136 3/20 0.47
S1PR4 O95977 2/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
FAAH O00519 1/20 0.45
PLK1 P53350 1/20 0.44
ENPP2 Q13822 1/20 0.44
AKT1 P31749 1/20 0.44
IRS1 P35568 1/20 0.44
GAB1 Q13480 1/20 0.44

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
SCHEMBL177112 0.83 S1PR1 (0.58) SPHK1S1PR1S1PR3S1PR2S1PR4
SCHEMBL14617663 0.83 PPID (0.78) PPIDPPIBPPIAPPIG
SCHEMBL2034522 0.82 PPID (0.76) PPIDPPIBPPIAPPIG
SCHEMBL2036646 0.81 PPID (0.74) PPIDPPIBPPIAPPIGS1PR1
SCHEMBL12643634 0.81 PPID (0.74) PPIDPPIBPPIAPPIG
SCHEMBL2041585 0.81 PPID (0.74) PPIDPPIBPPIAPPIG
SCHEMBL2042945 0.81 PPID (0.74) PPIDPPIBPPIAPPIGPPARG
SCHEMBL2044119 0.81 PPID (1.00) PPIDPPIBPPIAPPIG
SCHEMBL12643825 0.80 PPID (1.00) PPIDPPIBPPIAPPIG
SCHEMBL2041326 0.80 PPID (0.72) PPIDPPIBPPIAPPIG

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 PPID 3448/4885PPIB 3673/4885PPIA 3562/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 PPID 3448/4885PPIB 3673/4885PPIA 3562/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 PPID 4225/4885PPIB 4323/4885PPIA 4224/4885

“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.