SCHEMBL782498

SCHEMBL782498

CCOC(=O)OC1=C(c2ccc(Cl)cc2Cl)C(=O)OC12CCN(OC)CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 5/20 0.37
PTGS2 P35354 1/20 0.37
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
POLB P06746 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
GAA P10253 1/20 0.33
CHRM3 P20309 1/20 0.33
ITGB2 P05107 1/20 0.33

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
SCHEMBL782306 0.89 TSHR (0.38) MEN1KMT2ATSHRMAPTSMN1; SMN2
SCHEMBL13052290 0.88 PTGS2 (0.39) HTTMEN1KMT2ATSHRPTGS2
SCHEMBL782197 0.87 TSHR (0.37) HTTMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL13081170 0.86 KMT2A (0.35) HTTMEN1KMT2ATSHRMAPT
SCHEMBL782391 0.86 KCNH2 (0.38) MEN1KMT2AMAPTHSD17B10ALDH1A1
SCHEMBL782497 0.85 POLB (0.34) KMT2AMAPTSMN1; SMN2POLBLMNA
SCHEMBL782286 0.84 KMT2A (0.33) HTTMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL782382 0.83 L3MBTL1 (0.34) HTTKMT2AALDH1A1TP53
SCHEMBL769586 0.83 POLB (0.36) HTTMEN1KMT2ATSHRMAPT
SCHEMBL782395 0.82 CUL4A (0.33) HTTMEN1KMT2ATSHRSMN1; 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 HTT 1117/4885MEN1 1302/4885KMT2A 4234/4885

“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.