SCHEMBL113809

SCHEMBL113809

Cc1ccccc1-c1c(O)c2sc(C3CC3)nc2n(CC(F)F)c1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.34
UBE2M P61081 5/20 0.34
DCUN1D1 Q96GG9 5/20 0.34
CASR P41180 4/20 0.34
LMNA P02545 4/20 0.33
MAPT P10636 3/20 0.33
TP53 P04637 1/20 0.33
NR1I2 O75469 3/20 0.33
ALDH1A1 P00352 2/20 0.32
PKM P14618 1/20 0.32
NLRP3 Q96P20 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.31
GFER P55789 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
SCHEMBL115153 0.88 PDE4B (0.35) P2RX3UBE2MDCUN1D1LMNAMAPT
SCHEMBL115144 0.86 CASR (0.38) CASRNR1I2
SCHEMBL113825 0.84 MAPT (0.33) P2RX3UBE2MDCUN1D1LMNAMAPT
SCHEMBL115302 0.83 PTPN11 (0.35) UBE2MDCUN1D1MAPTTP53ALDH1A1
SCHEMBL115292 0.83 CASR (0.36) CASRMAPTTP53NR1I2
SCHEMBL115161 0.83 HEXA (0.36) CASRNR1I2
SCHEMBL115975 0.82 CASR (0.34) CASRLMNANR1I2MEN1KMT2A
SCHEMBL115168 0.82 CASR (0.34) CASRMAPTNR1I2MEN1KMT2A
SCHEMBL115166 0.81 CASR (0.35) CASRNR1I2ALDH1A1MEN1CYP2C9
SCHEMBL113811 0.80 CASR (0.35) CASRTP53NR1I2ALDH1A1MEN1

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 P2RX3 2034/4885UBE2M 3321/4885DCUN1D1 4002/4885

“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.