SCHEMBL2135339

SCHEMBL2135339

CCOC(=O)CCCOc1cccc(C(=N)NO)c1CC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.40
CNR1 P21554 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
USP2 O75604 1/20 0.39
HSD17B10 Q99714 1/20 0.39
F2RL3 Q96RI0 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
ABCB1 P08183 1/20 0.37
PTPN1 P18031 1/20 0.37
DHFR P00374 1/20 0.37
LTA4H P09960 1/20 0.37
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 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
SCHEMBL2136960 0.80 F2RL3 (0.41) TDP1L3MBTL1USP2F2RL3PDE4A
SCHEMBL3419516 0.79 L3MBTL1 (0.46) TDP1L3MBTL1USP2F2RL3PDE4A
SCHEMBL2133804 0.77 CYP4F2 (0.47) CNR1USP2HSD17B10
SCHEMBL2135611 0.75 NLRP3 (0.43) TDP1L3MBTL1F2RL3DHFRCYSLTR2
SCHEMBL4877407 0.74 MAPT (0.57) TDP1L3MBTL1ABCB1
SCHEMBL7709004 0.73 TSHR (0.57) TDP1L3MBTL1HSD17B10ABCB1
SCHEMBL201784 0.73 MEN1 (0.59) TDP1
SCHEMBL1014258 0.72 CYP1A2 (0.41) CNR1USP2HSD17B10
SCHEMBL9469608 0.72 NPC1 (0.49) TDP1L3MBTL1USP2PTPN1DHFR
SCHEMBL29213722 0.71 TDP1 (0.64) TDP1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445891-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS Glaxo Group Limited (GB) 2012-05-02 EP disclosed
US-20120101134-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2012-04-26 US disclosed
WO-2010148649-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-12-29 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-20120101134-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS S1PR1, S1PR5, S1PR3 CNR2 35/4885CNR1 16/4885TDP1 2942/4885

“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.