SCHEMBL5577112

SCHEMBL5577112

O=C(O)c1c(O)c2cc(F)ccc2c(=O)n1CC1CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.47
PLK1 P53350 1/20 0.45
HIF1A Q16665 1/20 0.39
RORA P35398 1/20 0.38
RORC P51449 1/20 0.38
RORB Q92753 1/20 0.38
FEN1 P39748 4/20 0.37
KDM4C Q9H3R0 1/20 0.37
NOTUM Q6P988 1/20 0.37
HRH2 P25021 1/20 0.36
NPC1 O15118 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CRY1 Q16526 1/20 0.35
CRY2 Q49AN0 1/20 0.35

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
SCHEMBL5235308 0.84 PLK1 (0.41) MAPK8PLK1
SCHEMBL5233819 0.79 PLK1 (0.41) MAPK8PLK1
SCHEMBL5577145 0.79 PTGDR2 (0.43) HIF1AHDAC1HDAC8HDAC6CRY1
SCHEMBL5576576 0.73 PTGDR2 (0.41) HIF1ACRY1CRY2
SCHEMBL5235595 0.70 PLK1 (0.37) MAPK8PLK1
SCHEMBL5238321 0.70 MAPK8 (0.53) MAPK8
SCHEMBL26655708 0.67 MPO (0.67) PLK1
SCHEMBL26707020 0.66 PLK1 (0.43) PLK1
SCHEMBL5235048 0.66 MAPK8 (0.55) MAPK8
SCHEMBL26706782 0.65 PLK1 (0.43) PLK1

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-20070117840-A1 Receptor antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US disclosed
EP-1604983-A1 RECEPTOR ANTAGONIST Takeda Pharmaceutical Company Limited (JP) 2005-12-14 EP 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-20070117840-A1 Receptor antagonist FSHR, NR4A1, GHRHR MAPK8 1528/4885PLK1 4836/4885HIF1A 1265/4885

“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.