SCHEMBL442782

SCHEMBL442782

CC1(C)OB(c2ccc(N(C(=O)O)c3ccccc3)cc2F)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.38
LIPG Q9Y5X9 4/20 0.37
LPL P06858 3/20 0.37
P4HB P07237 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
PTGIR P43119 5/20 0.34
PTGDR Q13258 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
F2 P00734 1/20 0.33
F11 P03951 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
LIPE Q05469 1/20 0.32
PDGFRB P09619 1/20 0.32
KDR P35968 1/20 0.32
ADRA1A P35348 1/20 0.32
MCHR1 Q99705 1/20 0.32
JAK2 O60674 1/20 0.32

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
SCHEMBL443872 0.81 LIPG (0.57) LIPGLPLP4HBNPSR1F2
SCHEMBL276100 0.80 CXCR2 (0.34) ROCK1LIPGLPLF2F11
SCHEMBL26969009 0.76 LPL (0.38) LIPGLPLJAK2BTK
SCHEMBL25274580 0.75 LPL (0.33) LIPGLPLESR1ESR2F2
SCHEMBL29536788 0.75 LPL (0.33) LIPGLPLESR1ESR2F2
SCHEMBL1129705 0.75 NPC1 (0.44) ROCK1P4HBNPSR1
SCHEMBL2092753 0.74 PTGIR (0.49) ESR1ESR2PTGIRPTGDRNPSR1
SCHEMBL1130939 0.74 LMNA (0.45) ROCK1LIPGLPLP4HBF2
SCHEMBL29528340 0.74 LMNA (0.45) ROCK1LIPGLPLP4HBF2
SCHEMBL24745880 0.73 RXRA (0.33) ROCK1LIPGLPLLIPERXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249129-B2 Morpholino substituted urea derivatives as mTOR inhibitors CELLZOME LIMITED (GB) 2016-02-02 US disclosed
US-20130196982-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED (GB) 2013-08-01 US disclosed
US-20120065202-A1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS CELLZOME LIMITED (GB) 2012-03-15 US disclosed
EP-2406258-A1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS Cellzome Limited (GB) 2012-01-18 EP disclosed
WO-2011107585-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED (GB) 2011-09-09 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 (2 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-20120065202-A1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR ROCK1 2340/4885LIPG 4309/4885LPL 4498/4885
US-20130196982-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS MTOR, EIF4E, EIF4A1 ROCK1 2595/4885LIPG 4470/4885LPL 4690/4885

“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.