SCHEMBL177361

SCHEMBL177361

CC(=CC(=O)c1ccc(-c2ccc(C=O)cc2)cc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.59
CES2 O00748 2/20 0.46
MAOB P27338 2/20 0.45
ALDH1A1 P00352 2/20 0.45
P4HB P07237 1/20 0.43
SRD5A2 P31213 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 2/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
NQO2 P16083 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
SCHEMBL177360 1.00 S1PR1 (0.59) S1PR1CES2MAOBALDH1A1P4HB
SCHEMBL14733989 0.79 S1PR1 (0.52) S1PR1CES2MAOBALDH1A1SRD5A2
SCHEMBL6703585 0.76 NR4A1 (0.66) S1PR1CES2MAOBALDH1A1SRD5A2
SCHEMBL6703582 0.76 NR4A1 (0.66) S1PR1CES2MAOBALDH1A1SRD5A2
SCHEMBL177435 0.75 S1PR1 (1.00) S1PR1KDM4E
SCHEMBL177436 0.75 S1PR1 (1.00) S1PR1KDM4E
SCHEMBL7961946 0.74 CES2 (0.57) S1PR1CES2MAOBALDH1A1SRD5A2
SCHEMBL7961951 0.74 CES2 (0.57) S1PR1CES2MAOBALDH1A1SRD5A2
SCHEMBL30679628 0.74 KIF11 (0.56) MAOBALDH1A1POLB
SCHEMBL7215429 0.74 KIF11 (0.56) MAOBALDH1A1POLB

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 1/4885CES2 4359/4885MAOB 3603/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 S1PR1 1/4885CES2 4359/4885MAOB 3603/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 S1PR1 1/4885CES2 4254/4885MAOB 3877/4885

“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.