SCHEMBL177206

SCHEMBL177206

C#CCn1cc(C(=O)C(F)(F)F)c2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.67
IDO1 P14902 6/20 0.65
HTT P42858 1/20 0.57
S1PR1 P21453 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 1/20 0.45
NR4A2 P43354 1/20 0.45
ATM Q13315 1/20 0.44
POLB P06746 1/20 0.43
HSP90AA1 P07900 1/20 0.43
CFD P00746 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL29051451 0.82 KDM4E (0.74) KDM4EIDO1HTTS1PR1ALDH1A1
SCHEMBL2186845 0.82 KDM4E (0.74) KDM4EIDO1HTTS1PR1ALDH1A1
SCHEMBL2187242 0.81 KDM4E (0.72) KDM4EIDO1HTTS1PR1ALDH1A1
SCHEMBL12481275 0.80 KDM4E (1.00) KDM4EIDO1HTTS1PR1ALDH1A1
SCHEMBL19233876 0.80 KDM4E (0.70) KDM4EIDO1HTTS1PR1ALDH1A1
SCHEMBL29781817 0.80 KDM4E (1.00) KDM4EIDO1HTTS1PR1ALDH1A1
SCHEMBL4274043 0.79 KDM4E (0.72) KDM4EIDO1HTTS1PR1ALDH1A1
SCHEMBL3590980 0.79 L3MBTL1 (0.75) KDM4EIDO1HTTALDH1A1MAPK1
SCHEMBL565729 0.78 KDM4E (0.56) KDM4EIDO1HTTS1PR1ALDH1A1
SCHEMBL9996164 0.77 KDM4E (0.55) KDM4EIDO1HTTS1PR1ALDH1A1

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 13 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-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 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-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 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
EP-2344446-A1 S1P RECEPTORS MODULATORS 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
WO-2010042998-A1 S1P RECEPTORS MODULATORS 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 (4 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 KDM4E 1508/4885IDO1 591/4885HTT 3829/4885
US-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 KDM4E 1701/4885IDO1 1305/4885HTT 3688/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 KDM4E 1508/4885IDO1 591/4885HTT 3829/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 KDM4E 2503/4885IDO1 778/4885HTT 4074/4885

“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.