SCHEMBL115161

SCHEMBL115161

CCc1nc2c(s1)c(O)c(-c1ccccc1C)c(=O)n2CC(F)F

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HEXA P06865 1/20 0.36
HEXB P07686 1/20 0.36
CASR P41180 8/20 0.34
NR1I2 O75469 4/20 0.34
MAPK14 Q16539 1/20 0.33
HSD17B13 Q7Z5P4 2/20 0.32
F2 P00734 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MCL1 Q07820 2/20 0.31
KDM5A P29375 1/20 0.31
ABL1 P00519 1/20 0.31
LCK P06239 1/20 0.31
YES1 P07947 1/20 0.31
SRC P12931 1/20 0.31
EPHB4 P54760 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
SCHEMBL115166 0.92 CASR (0.35) HEXAHEXBCASRNR1I2ABL1
SCHEMBL115144 0.88 CASR (0.38) HEXAHEXBCASRNR1I2
SCHEMBL113779 0.88 HEXA (0.40) HEXAHEXBCASRMAPK14HSD17B13
SCHEMBL115292 0.85 CASR (0.36) CASRNR1I2MCL1
SCHEMBL113811 0.85 CASR (0.35) CASRNR1I2HSD17B13KDM4EHSD17B10
SCHEMBL115168 0.84 CASR (0.34) CASRNR1I2
SCHEMBL115975 0.84 CASR (0.34) HEXAHEXBCASRNR1I2
SCHEMBL116175 0.84 HEXA (0.40) HEXAHEXBCASRMAPK14F2
SCHEMBL115325 0.83 HEXA (0.36) HEXAHEXBCASRMAPK14F2
SCHEMBL113809 0.83 P2RX3 (0.34) CASRNR1I2

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 HEXA 747/4885HEXB 1304/4885CASR 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.