SCHEMBL176857

SCHEMBL176857

O=C(ON1CCN(C(=O)O)CC1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 8/20 0.43
MEN1 O00255 2/20 0.43
TSHR P16473 2/20 0.42
HPGD P15428 1/20 0.42
ALDH1A1 P00352 3/20 0.41
USP2 O75604 1/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
GAA P10253 2/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA5 P30532 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
BLM P54132 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL29111292 0.88 HPGD (0.58) TSHRHPGDALDH1A1USP2GAA
SCHEMBL29261428 0.86 KMT2A (0.49) F2LMNAKMT2AMEN1TSHR
SCHEMBL27918306 0.83 ALDH1A1 (0.54) LMNAKMT2AMEN1TSHRHPGD
SCHEMBL2510973 0.83 KMT2A (0.50) F2LMNAKMT2AMEN1TSHR
SCHEMBL17066447 0.82 KMT2A (0.55) F2LMNAKMT2AMEN1TSHR
SCHEMBL1249246 0.81 HPGD (0.53) F2LMNAKMT2AMEN1TSHR
SCHEMBL28495717 0.81 HPGD (0.53) F2LMNAKMT2AMEN1TSHR
SCHEMBL29111305 0.81 MAPT (0.56) LMNATSHRHPGDALDH1A1GAA
SCHEMBL27383717 0.81 SIGMAR1 (0.54) F2LMNAKMT2AMEN1TSHR
SCHEMBL1266020 0.80 F2 (0.47) F2LMNAKMT2AMEN1TSHR

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 F2 2792/4885LMNA 4245/4885KMT2A 2386/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 F2 2792/4885LMNA 4245/4885KMT2A 2386/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 F2 3429/4885LMNA 4010/4885KMT2A 3231/4885

“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.