SCHEMBL115332

SCHEMBL115332

C#CCn1c(=O)c(-c2ccccc2C)c(O)c2sc(CCC)nc21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.35
HEXA P06865 1/20 0.33
HEXB P07686 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CASR P41180 1/20 0.32
ADORA3 P0DMS8 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
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL115325 0.92 HEXA (0.36) HEXAHEXBCASRADORA3KDM4E
SCHEMBL113787 0.89 PDE4B (0.36) TLR8HEXAHEXBALDH1A1CASR
SCHEMBL115300 0.86 ADORA3 (0.34) CASRADORA3LMNARAB9ASMN1; SMN2
SCHEMBL115354 0.84 ALDH1A1 (0.37) TLR8HEXAHEXBALDH1A1CASR
SCHEMBL115166 0.84 CASR (0.35) HEXAHEXBALDH1A1CASRABL1
SCHEMBL115255 0.83 SMN1; SMN2 (0.34) ALDH1A1ADORA3MAPTKDM4EHPGD
SCHEMBL113840 0.83 ADORA3 (0.33) CASRADORA3LMNARAB9ASMN1; SMN2
SCHEMBL115979 0.83 ADORA3 (0.32) HEXAHEXBCASRADORA3LMNA
SCHEMBL113824 0.83 ADORA3 (0.32) ALDH1A1CASRADORA3MAPTKDM4E
SCHEMBL113825 0.81 MAPT (0.33) ADORA3MAPTLMNARAB9ASMN1; SMN2

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 TLR8 4534/4885HEXA 747/4885HEXB 1304/4885

“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.