SCHEMBL782197

SCHEMBL782197

CCOC(=O)OC1=C(c2cc(C)c(Cl)cc2C)C(=O)OC12CCN(OC)CC2

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
CUL4A Q13619 2/20 0.34
KMT2A Q03164 4/20 0.32
ALDH1A1 P00352 3/20 0.32
POLB P06746 2/20 0.32
PKM P14618 1/20 0.32
KDM4E B2RXH2 2/20 0.31
GAA P10253 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPY5R Q15761 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
RAB9A P51151 1/20 0.30
TP53 P04637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL782382 0.93 L3MBTL1 (0.34) CUL4AKMT2AALDH1A1NPY5RHTT
SCHEMBL782574 0.89 HDAC3 (0.31) KMT2ANPY5R
SCHEMBL782538 0.89 SMN1; SMN2 (0.35) TSHRCUL4AKMT2AALDH1A1KDM4E
SCHEMBL782306 0.87 TSHR (0.38) TSHRKMT2AALDH1A1POLBPKM
SCHEMBL782498 0.87 HTT (0.38) TSHRKMT2AALDH1A1POLBKDM4E
SCHEMBL769586 0.86 POLB (0.36) TSHRKMT2AALDH1A1POLBGAA
SCHEMBL782497 0.86 POLB (0.34) KMT2AALDH1A1POLBKDM4EGAA
SCHEMBL782286 0.86 KMT2A (0.33) TSHRCUL4AKMT2AALDH1A1HTT
SCHEMBL13081170 0.85 KMT2A (0.35) TSHRCUL4AKMT2AALDH1A1POLB
SCHEMBL782386 0.83 CUL4A (0.31) TSHRCUL4AKMT2AMEN1L3MBTL1

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 107/4885CUL4A 3434/4885KMT2A 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.