SCHEMBL782313

SCHEMBL782313

Cc1cc(C)c(CC(=O)OC2(C#N)CCN(OCc3ccccc3)CC2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.43
HTT P42858 2/20 0.33
GALR3 O60755 1/20 0.33
NR2F2 P24468 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
PREP P48147 2/20 0.32
EPHX2 P34913 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSK P43235 1/20 0.32
OPRK1 P41145 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KCNH2 Q12809 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
SCHEMBL782652 0.85 STS (0.35) STSL3MBTL1MEN1KMT2A
SCHEMBL9289378 0.85 OPRK1 (0.35) HTTGALR3NR2F2CYP3A4CYP2D6
SCHEMBL769315 0.83 STS (0.36) STSEPHX2
SCHEMBL782639 0.82 STS (0.33) STS
SCHEMBL9289301 0.82 HTT (0.37) HTTGALR3NR2F2CYP3A4CYP2D6
SCHEMBL782630 0.71 PSMB8 (0.37) HTTMEN1KMT2ASMN1; SMN2
SCHEMBL9289037 0.71 STS (0.35) STS
SCHEMBL782646 0.70 STS (0.37) STS
SCHEMBL782665 0.70 STS (0.33) STS
SCHEMBL782744 0.69 ALDH1A1 (0.40) PREPCTSLCTSBCTSKSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8574607-B2 Spiroheterocyclic thiofuran dione derivatives SYNGENTA CROP PROTECTION, INC. (US) 2013-11-05 US disclosed
US-8574607-B2 Spiroheterocyclic thiofuran dione derivatives SYNGENTA CROP PROTECTION, INC. (US) 2013-11-05 US disclosed
US-20120071319-A1 SPIROHETEROCYCLIC FURAN AND THIOFURAN DIONE DERIVATIVES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-22 US disclosed
US-20120071319-A1 SPIROHETEROCYCLIC FURAN AND THIOFURAN DIONE DERIVATIVES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-22 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-20120071319-A1 SPIROHETEROCYCLIC FURAN AND THIOFURAN DIONE DERIVATIVES DDT, DHFR, CYP1A1 STS 76/4885HTT 1117/4885GALR3 2918/4885

“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.