SCHEMBL13775845

SCHEMBL13775845

COc1cccc(C(O)c2cc(Cl)ccc2NC(=O)OC(C)(C)C)c1OC(F)F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.41
FDFT1 P37268 4/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 2/20 0.34
KCNMA1 Q12791 1/20 0.34
HIF1A Q16665 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GRIK1 P39086 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
SCHEMBL13776019 0.91 LPAR1 (0.45) LPAR1FDFT1HSP90AA1HSP90AB1SMN1; SMN2
SCHEMBL13775957 0.87 HSP90AA1 (0.38) LPAR1HSP90AA1HSP90AB1SMN1; SMN2GAA
SCHEMBL4124875 0.87 LPAR1 (0.45) LPAR1FDFT1SMN1; SMN2GAAKMT2A
SCHEMBL4119464 0.87 LPAR1 (0.51) LPAR1FDFT1HSP90AA1HSP90AB1GAA
SCHEMBL4113235 0.86 LPAR1 (0.44) LPAR1HSP90AA1HSP90AB1GAAKMT2A
SCHEMBL13776413 0.86 LPAR1 (0.46) LPAR1HSP90AA1HSP90AB1SMN1; SMN2GAA
SCHEMBL4119701 0.85 LPAR1 (0.45) LPAR1HSP90AA1HSP90AB1GAAKMT2A
SCHEMBL4124330 0.84 LPAR1 (0.40) LPAR1FDFT1HSP90AA1HSP90AB1ALDH1A1
SCHEMBL4116446 0.84 HSP90AA1 (0.42) LPAR1FDFT1HSP90AA1HSP90AB1SMN1; SMN2
SCHEMBL13776183 0.84 LPAR1 (0.45) LPAR1HSP90AA1HSP90AB1GAAKMT2A

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 LPAR1 345/4885FDFT1 1/4885HSP90AA1 4018/4885

“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.