SCHEMBL177437

SCHEMBL177437

COC(=O)C1CN(Cc2ccc(-c3ccc4oc(-c5ccccc5)cc(=O)c4c3)cc2)C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.53
PLA2G4A P47712 3/20 0.53
S1PR1 P21453 8/20 0.52
ACHE P22303 3/20 0.50
S1PR3 Q99500 2/20 0.48
SIGMAR1 Q99720 1/20 0.48
ABCB1 P08183 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
PLA2G10 O15496 1/20 0.47
MAPT P10636 1/20 0.46
BCHE P06276 1/20 0.46

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
SCHEMBL177052 0.89 S1PR1 (0.64) PLA2G2APLA2G4AS1PR1ACHES1PR3
SCHEMBL12269410 0.81 S1PR1 (0.60) S1PR1S1PR3
SCHEMBL177374 0.77 S1PR1 (0.44) S1PR1
SCHEMBL1602506 0.76 S1PR1 (0.80) S1PR1S1PR3
SCHEMBL1601740 0.75 S1PR1 (0.68) S1PR1S1PR3
SCHEMBL6616917 0.74 S1PR5 (0.60) S1PR1MAPT
SCHEMBL24227286 0.74 PLA2G2A (0.97) PLA2G2APLA2G4AABCB1ABCG2PLA2G10
SCHEMBL2949408 0.73 S1PR1 (0.55) S1PR1S1PR3
SCHEMBL22470305 0.70 POLB (0.57) MAPT
SCHEMBL12269271 0.70 S1PR1 (0.78) S1PR1S1PR3

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 PLA2G2A 200/4885PLA2G4A 127/4885S1PR1 1/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 PLA2G2A 200/4885PLA2G4A 127/4885S1PR1 1/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 PLA2G2A 168/4885PLA2G4A 121/4885S1PR1 1/4885

“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.