SCHEMBL782501

SCHEMBL782501

CCOC(=O)OC1=C(c2c(C)ccc(Cl)c2C)C(=O)OC12CCN(OC)CC2

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.33
NOS2 P35228 1/20 0.33
ALDH1A1 P00352 2/20 0.32
PKM P14618 1/20 0.32
GAA P10253 1/20 0.32
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
POLB P06746 2/20 0.32
MAPT P10636 1/20 0.32
OPRM1 P35372 1/20 0.31
CUL4A Q13619 1/20 0.31
HTT P42858 1/20 0.31
SIGMAR1 Q99720 2/20 0.31
F10 P00742 2/20 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
SCHEMBL782560 0.89 HSD11B1 (0.32) GAA
SCHEMBL782580 0.88 ALDH1A1 (0.33) NOS2ALDH1A1POLBMAPTSIGMAR1
SCHEMBL782386 0.88 CUL4A (0.31) TSHRCUL4A
SCHEMBL782286 0.86 KMT2A (0.33) TSHRALDH1A1SMN1; SMN2CUL4AHTT
SCHEMBL782428 0.86 KDM4E (0.35) TSHRNOS2ALDH1A1PKMGAA
SCHEMBL13081170 0.86 KMT2A (0.35) TSHRALDH1A1PKMGAAKDM4E
SCHEMBL782390 0.85 ALDH1A1 (0.40) TSHRNOS2ALDH1A1PKMGAA
SCHEMBL782427 0.85 KDM4E (0.44) TSHRNOS2ALDH1A1PKMGAA
SCHEMBL782395 0.84 CUL4A (0.33) TSHRALDH1A1PKMGAAKDM4E
SCHEMBL782306 0.83 TSHR (0.38) TSHRALDH1A1PKMGAAKDM4E

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 TSHR 107/4885NOS2 3722/4885ALDH1A1 23/4885

“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.