SCHEMBL115047

SCHEMBL115047

Cc1ccccc1-c1c(O)c2cnn(C)c2n(CC(F)(F)F)c1=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 14/20 0.43
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
BRD4 O60885 1/20 0.36
TACR1 P25103 2/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 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
SCHEMBL115199 0.87 HPGD (0.44) METAP2F7F3BRD4TACR1
SCHEMBL115087 0.85 F7 (0.39) F7F3BRD4TACR1LMNA
SCHEMBL115132 0.83 METAP2 (0.45) METAP2LMNAHPGDMAPK1HTT
SCHEMBL115064 0.83 F7 (0.39) F7F3BRD4TACR1LMNA
SCHEMBL115231 0.83 F7 (0.44) F7F3BRD4TACR1LMNA
SCHEMBL115080 0.80 METAP2 (0.43) METAP2BRD4TACR1
SCHEMBL116024 0.76 METAP2 (0.39) METAP2BRD4TACR1ESR1ESR2
SCHEMBL114967 0.76 METAP2 (0.39) METAP2BRD4TACR1ESR1ESR2
SCHEMBL115108 0.75 METAP2 (0.43) METAP2
SCHEMBL113625 0.73 METAP2 (0.41) METAP2ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058893-A1 HERBICIDALLY ACTIVE KETOSULTAMS AND DIKETOPYRIDINES BAYER CROPSCIENCE AG (DE) 2012-03-08 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-20120058893-A1 HERBICIDALLY ACTIVE KETOSULTAMS AND DIKETOPYRIDINES KHK, KCNA1, KCNA2 METAP2 2747/4885F7 3305/4885F3 4126/4885

“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.