SCHEMBL13775853

SCHEMBL13775853

CC(C)(C)OC(=O)Nc1ccc(Cl)cc1C(O)c1cccnc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.39
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
ATR Q13535 1/20 0.36
CCR9 P51686 1/20 0.35
CYP17A1 P05093 1/20 0.35
RBP4 P02753 2/20 0.35
PTGER1 P34995 2/20 0.35
S1PR3 Q99500 1/20 0.35
LPAR1 Q92633 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
IDO1 P14902 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
P2RX3 P56373 1/20 0.34
LMNA P02545 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
SCHEMBL4118466 0.85 ALDH1A1 (0.37) ALDH1A1L3MBTL1CCR9RBP4HPGD
SCHEMBL13775851 0.85 LPAR1 (0.40) METAP1ALDH1A1HSP90AA1HSP90AB1ATR
SCHEMBL4122839 0.83 LMNA (0.46) ALDH1A1RXFP1HSP90AA1HSP90AB1RBP4
SCHEMBL4112748 0.80 CNR2 (0.42) RXFP1HSP90AA1HSP90AB1LPAR1SMN1; SMN2
SCHEMBL13776193 0.79 HSP90AA1 (0.41) RXFP1HSP90AA1HSP90AB1CYP17A1S1PR3
SCHEMBL4119464 0.79 LPAR1 (0.51) ALDH1A1L3MBTL1HSP90AA1HSP90AB1LPAR1
SCHEMBL13776189 0.79 HSP90AA1 (0.44) RXFP1HSP90AA1HSP90AB1S1PR3LPAR1
SCHEMBL13775974 0.78 HSP90AA1 (0.40) ALDH1A1RXFP1HSP90AA1HSP90AB1CYP17A1
SCHEMBL19857728 0.78 CYP3A4 (0.46) ALDH1A1HSP90AA1HSP90AB1S1PR3HPGD
SCHEMBL13775967 0.78 CNR2 (0.41) RXFP1HSP90AA1HSP90AB1LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US 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-20090181942-A1 TRICYCLIC COMPOUNDS FDFT1, COASY, HMGCR METAP1 1240/4885ALDH1A1 1587/4885L3MBTL1 661/4885

“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.