SCHEMBL177301

SCHEMBL177301

CCCCCCCCc1ccc(NC(=O)NCCC(=O)OCC)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.73
ALDH1A1 P00352 3/20 0.57
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
KMT2A Q03164 1/20 0.53
GHSR Q92847 2/20 0.52
EPHX1 P07099 5/20 0.51
HTT P42858 1/20 0.51
THRA P10827 3/20 0.51
THRB P10828 3/20 0.51
EPHX2 P34913 2/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
SPHK1 Q9NYA1 1/20 0.48

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
SCHEMBL176981 0.85 S1PR1 (1.00) S1PR1ALDH1A1CA12CA1CA2
SCHEMBL11586841 0.85 S1PR1 (0.51) S1PR1THRATHRBSPHK1
SCHEMBL25401865 0.82 S1PR1 (0.76) S1PR1ALDH1A1CA12CA1CA2
SCHEMBL6692687 0.81 S1PR1 (0.74) S1PR1ALDH1A1CA12CA1CA2
SCHEMBL6693240 0.81 S1PR1 (0.74) S1PR1ALDH1A1CA12CA1CA2
SCHEMBL6691078 0.81 S1PR1 (0.74) S1PR1ALDH1A1CA12CA1CA2
SCHEMBL6693566 0.81 S1PR1 (0.74) S1PR1ALDH1A1CA12CA1CA2
SCHEMBL6693150 0.81 S1PR1 (0.74) S1PR1ALDH1A1CA12CA1CA2
SCHEMBL13267749 0.80 S1PR1 (0.72) S1PR1CA12CA1CA2CA9
SCHEMBL27855959 0.80 S1PR1 (0.72) S1PR1CA12CA1CA2CA9

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 1/4885ALDH1A1 3172/4885CA12 4613/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 S1PR1 1/4885ALDH1A1 3172/4885CA12 4613/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 S1PR1 1/4885ALDH1A1 3392/4885CA12 4115/4885

“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.