SCHEMBL2411212

SCHEMBL2411212

CCOC(=O)CCCOc1cccc(B2OC(C)(C)C(C)(C)O2)c1CC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 2/20 0.39
DHFR P00374 2/20 0.36
PTPN1 P18031 1/20 0.36
CYSLTR2 Q9NS75 2/20 0.36
CYSLTR1 Q9Y271 2/20 0.36
PDK2 Q15119 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
UCHL1 P09936 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
BRD4 O60885 1/20 0.35
PLA2G2A P14555 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
FAAH O00519 1/20 0.34

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
SCHEMBL2135632 0.83 CYP4F2 (0.46) TDP1UCHL1CYP4F2CYP4A11
SCHEMBL30923006 0.79 CYP4F2 (0.43) TDP1UCHL1CYP4F2CYP4A11
SCHEMBL1293639 0.77 TBXAS1 (0.36) TDP1L3MBTL1UCHL1
SCHEMBL2136239 0.76 MEN1 (0.41) F2RL3DHFRPTPN1PDK2TDP1
SCHEMBL16334225 0.76 PDK2 (0.36) F2RL3PTPN1CYSLTR2CYSLTR1PDK2
SCHEMBL2137466 0.76 BRD4 (0.47) CYSLTR2CYSLTR1PDK2UCHL1BRD4
SCHEMBL26185976 0.76 MAPT (0.44) TDP1L3MBTL1
SCHEMBL2136960 0.76 F2RL3 (0.41) F2RL3DHFRPTPN1CYSLTR2CYSLTR1
SCHEMBL16334177 0.75 MEN1 (0.46) PTPN1PDK2TDP1L3MBTL1BRD4
SCHEMBL19511126 0.75 CYSLTR2 (0.48) CYSLTR2CYSLTR1PDK2TDP1L3MBTL1

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-2547662-A1 PYRIMIDINE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS Glaxo Group Limited (GB) 2013-01-23 EP disclosed
US-20130012491-A1 PYRIMIDINE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2013-01-10 US disclosed
US-20130012491-A1 PYRIMIDINE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2013-01-10 US disclosed
US-20130012491-A1 PYRIMIDINE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2013-01-10 US disclosed
WO-2011113309-A1 PYRIMIDINE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2011-09-22 WO disclosed
WO-2011113309-A1 PYRIMIDINE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2011-09-22 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-20130012491-A1 PYRIMIDINE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS S1PR1, S1PR3, S1PR5 F2RL3 719/4885DHFR 905/4885PTPN1 1932/4885

“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.