SCHEMBL115166

SCHEMBL115166

CCCc1nc2c(s1)c(O)c(-c1ccccc1C)c(=O)n2CC(F)F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASR P41180 9/20 0.35
NR1I2 O75469 4/20 0.35
HEXA P06865 1/20 0.33
HEXB P07686 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
CYP2C9 P11712 1/20 0.32
KMT2A Q03164 1/20 0.32
ABL1 P00519 1/20 0.32
LCK P06239 1/20 0.32
YES1 P07947 1/20 0.32
SRC P12931 1/20 0.32
EPHB4 P54760 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
SCHEMBL115161 0.92 HEXA (0.36) CASRNR1I2HEXAHEXBABL1
SCHEMBL113787 0.89 PDE4B (0.36) CASRNR1I2HEXAHEXBALDH1A1
SCHEMBL115144 0.86 CASR (0.38) CASRNR1I2HEXAHEXB
SCHEMBL115354 0.84 ALDH1A1 (0.37) CASRNR1I2HEXAHEXBALDH1A1
SCHEMBL115332 0.84 TLR8 (0.35) CASRHEXAHEXBALDH1A1ABL1
SCHEMBL115292 0.84 CASR (0.36) CASRNR1I2
SCHEMBL113811 0.83 CASR (0.35) CASRNR1I2ALDH1A1MEN1KMT2A
SCHEMBL115168 0.83 CASR (0.34) CASRNR1I2MEN1KMT2A
SCHEMBL115975 0.83 CASR (0.34) CASRNR1I2HEXAHEXBMEN1
SCHEMBL113809 0.81 P2RX3 (0.34) CASRNR1I2ALDH1A1MEN1CYP2C9

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 CASR 4298/4885NR1I2 2192/4885HEXA 747/4885

“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.