SCHEMBL177484

SCHEMBL177484

O=Cc1ccc(-c2ccc(CO)s2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
GLA P06280 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
DPP4 P27487 2/20 0.42
CYP2E1 P05181 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH5A1 P51649 1/20 0.38
ABAT P80404 1/20 0.38
APP P05067 2/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
DRD2 P14416 1/20 0.35

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
SCHEMBL4444483 0.78 APP (0.47) CYP2A6ALDH1A1MAPTDPP4ALDH5A1
SCHEMBL2239902 0.76 MEN1 (0.52) CYP2A6ALDH1A1MEN1GLAMAPT
SCHEMBL28280412 0.76 ALDH1A1 (0.52) CYP2A6ALDH1A1MEN1GLAMAPT
SCHEMBL1160546 0.76 ALDH1A1 (0.52) CYP2A6ALDH1A1MEN1GLAMAPT
SCHEMBL71397 0.75 CYP2A6 (0.65) CYP2A6ALDH1A1MEN1GLAMAPT
SCHEMBL405828 0.74 MAPT (0.50) CYP2A6ALDH1A1MEN1GLAMAPT
SCHEMBL8572801 0.73 MEN1 (0.70) CYP2A6ALDH1A1MEN1GLAMAPT
SCHEMBL27816587 0.73 CYP2A6 (0.52) CYP2A6ALDH1A1MEN1HPGDKMT2A
SCHEMBL8570131 0.73 DPP4 (0.51) CYP2A6ALDH1A1MEN1GLAMAPT
SCHEMBL11153264 0.72 APP (0.68) CYP2A6ALDH1A1MEN1GLAMAPT

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 CYP2A6 3414/4885ALDH1A1 3172/4885MEN1 1409/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 CYP2A6 3414/4885ALDH1A1 3172/4885MEN1 1409/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 CYP2A6 4297/4885ALDH1A1 3392/4885MEN1 984/4885

“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.