SCHEMBL566349

SCHEMBL566349

CCCCCCC#Cc1ccc2[nH]ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.47
IMPDH1 P20839 1/20 0.47
GFER P55789 1/20 0.46
EPHX1 P07099 1/20 0.44
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
APP P05067 1/20 0.42
GRIN1 Q05586 1/20 0.42
MMP2 P08253 1/20 0.42
MMP12 P39900 1/20 0.42
KCNH2 Q12809 2/20 0.40
CYP2D6 P10635 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
GPR84 Q9NQS5 1/20 0.38
PRKCA P17252 1/20 0.38
CYP2A6 P11509 1/20 0.37
AHR P35869 1/20 0.37
NR4A2 P43354 1/20 0.37

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
SCHEMBL28205154 0.82 IMPDH2 (0.56) IMPDH2IMPDH1GFERAPPGRIN1
SCHEMBL5886619 0.76 KCNH2 (0.47) EPHX1FFAR1FFAR4MMP2MMP12
SCHEMBL5886652 0.76 FFAR1 (0.63) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL16151309 0.75 KCNH2 (0.46) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL17489596 0.73 FFAR1 (0.42) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL1063027 0.72 IMPDH2 (0.51) IMPDH2IMPDH1GFERAPPGRIN1
SCHEMBL6932038 0.71 FFAR1 (0.52) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL7681065 0.71 FFAR1 (0.43) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL12269063 0.71 FFAR1 (0.43) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL8847930 0.71 FFAR1 (0.51) FFAR1FFAR4APPMMP2MMP12

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
EP-2344446-A1 S1P RECEPTORS MODULATORS Akaal Pharma Pty Ltd (AU) 2011-07-20 EP 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 (1 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-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 IMPDH2 1714/4885IMPDH1 1535/4885GFER 3303/4885

“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.