SCHEMBL782423

SCHEMBL782423

CCOC(=O)OC1=C(c2ccc(F)cc2)C(=O)OC12CCN(OC)CC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.36
PTGS2 P35354 3/20 0.35
PTGS1 P23219 2/20 0.35
MAPK1 P28482 2/20 0.35
HTT P42858 2/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
NPY5R Q15761 1/20 0.33
DRD2 P14416 2/20 0.33
SIGMAR1 Q99720 2/20 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
SCHEMBL782179 0.90 MAPT (0.40) MAPK1HTTGAALMNAMAPT
SCHEMBL782307 0.85 ALDH1A1 (0.36) HTTMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL782580 0.83 ALDH1A1 (0.33) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL782391 0.83 KCNH2 (0.38) MAPTALDH1A1MEN1KMT2ANPY5R
SCHEMBL782427 0.82 KDM4E (0.44) MAPK1GAALMNAMAPTSMN1; SMN2
SCHEMBL782428 0.82 KDM4E (0.35) OPRM1GAALMNASMN1; SMN2ALDH1A1
SCHEMBL782306 0.81 TSHR (0.38) GAAMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL782390 0.81 ALDH1A1 (0.40) HTTGAALMNASMN1; SMN2ALDH1A1
SCHEMBL768851 0.80 KMT2A (0.33) OPRM1MAPK1GAAALDH1A1MEN1
SCHEMBL782382 0.80 L3MBTL1 (0.34) HTTALDH1A1KMT2AL3MBTL1NPY5R

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
WO-2010135914-A1 NEW SPIROHETEROCYCLIC FURAN AND THIOFURAN DIONE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2010-12-02 WO 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 OPRM1 1841/4885PTGS2 1260/4885PTGS1 889/4885

“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.