SCHEMBL2136960

SCHEMBL2136960

CCOC(=O)CCCOc1cccc(Br)c1CC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.41
USP2 O75604 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
CYSLTR2 Q9NS75 2/20 0.41
CYSLTR1 Q9Y271 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTPN1 P18031 2/20 0.41
DHFR P00374 1/20 0.41
BRD4 O60885 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ABCB1 P08183 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 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
SCHEMBL9469608 0.86 NPC1 (0.49) USP2CYP4F2CYP4A11CYSLTR2CYSLTR1
SCHEMBL30734588 0.82 CYP4F2 (0.45) F2RL3CYP4F2CYP4A11CYSLTR2CYSLTR1
SCHEMBL26635776 0.82 CYP4F2 (0.45) F2RL3CYP4F2CYP4A11CYSLTR2CYSLTR1
SCHEMBL26636436 0.82 CYP4F2 (0.45) F2RL3CYP4F2CYP4A11CYSLTR2CYSLTR1
SCHEMBL2135611 0.81 NLRP3 (0.43) F2RL3CYP4F2CYP4A11CYSLTR2CYSLTR1
SCHEMBL2135339 0.80 CNR2 (0.40) F2RL3USP2CYSLTR2CYSLTR1TDP1
SCHEMBL31432541 0.80 PDE4A (0.47) CYP4F2CYP4A11TDP1L3MBTL1PTPN1
SCHEMBL201784 0.79 MEN1 (0.59) TDP1MEN1KMT2A
SCHEMBL3267158 0.79 TDP1 (0.51) USP2CYP4F2CYP4A11CYSLTR2CYSLTR1
SCHEMBL12365379 0.78 DHFR (0.48) CYP4F2CYP4A11DHFR

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 6 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
US-20120101134-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2012-04-26 US 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
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 F2RL3 659/4885USP2 4805/4885CYP4F2 1427/4885

“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.