SCHEMBL115100

SCHEMBL115100

Cc1ccccc1-c1c(O)c2ncsc2n(CC(F)(F)F)c1=O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 16/20 0.40
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
GRM2 Q14416 1/20 0.32
CYP17A1 P05093 1/20 0.32
CYP1A2 P05177 1/20 0.32
TACR1 P25103 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
SCHEMBL115096 0.86 KDM4E (0.36) METAP2CYP1A2
SCHEMBL114970 0.84 CASR (0.34) ESR1ESR2
SCHEMBL115974 0.82 METAP2 (0.42) METAP2ESR1ESR2
SCHEMBL114962 0.82 SMN1; SMN2 (0.34) ESR1ESR2
SCHEMBL115067 0.81 BRD4 (0.40) TACR1
SCHEMBL116024 0.80 METAP2 (0.39) METAP2ESR1ESR2TACR1
SCHEMBL116023 0.78 METAP2 (0.40) METAP2ESR1ESR2CYP17A1CYP1A2
SCHEMBL115108 0.76 METAP2 (0.43) METAP2GRM2
SCHEMBL113625 0.76 METAP2 (0.41) METAP2ESR1ESR2
SCHEMBL115026 0.75 GAA (0.42) METAP2

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 2747/4885ESR1 4164/4885ESR2 3481/4885

“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.