SCHEMBL114953

SCHEMBL114953

CSc1nc2c(s1)c(O)c(-c1ccccc1C)c(=O)n2CC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 11/20 0.38
GRM2 Q14416 1/20 0.32
CASR P41180 4/20 0.32
NR1I2 O75469 2/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PIK3CA P42336 1/20 0.31
HEXA P06865 1/20 0.31
HEXB P07686 1/20 0.31

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
SCHEMBL115148 0.87 MEN1 (0.40) CASRMEN1LMNATSHRALOX12
SCHEMBL115975 0.86 CASR (0.34) CASRNR1I2MEN1LMNATSHR
SCHEMBL115979 0.84 ADORA3 (0.32) CASRMEN1LMNATSHRALOX12
SCHEMBL113713 0.83 KDM4E (0.36) CASRMEN1KMT2ANPSR1HEXA
SCHEMBL115974 0.79 METAP2 (0.42) METAP2
SCHEMBL115026 0.74 GAA (0.42) METAP2KMT2A
SCHEMBL115127 0.74 PDE4B (0.38) METAP2CASRMEN1LMNATSHR
SCHEMBL113625 0.73 METAP2 (0.41) METAP2CASR
SCHEMBL115080 0.73 METAP2 (0.43) METAP2CASR
SCHEMBL115144 0.72 CASR (0.38) CASRNR1I2HEXAHEXB

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 2747/4885GRM2 245/4885CASR 4298/4885

“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.