SCHEMBL782428

SCHEMBL782428

CCOC(=O)OC1=C(c2c(F)ccc(C)c2Cl)C(=O)OC12CCN(OC)CC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
TSHR P16473 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 6/20 0.32
TDP1 Q9NUW8 3/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
ALOX15 P16050 1/20 0.32
P2RX7 Q99572 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
SIGMAR1 Q99720 2/20 0.30
THRB P10828 1/20 0.30
PKM P14618 1/20 0.30
GAA P10253 1/20 0.30
LMNA P02545 1/20 0.30
OPRM1 P35372 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
SCHEMBL13002833 0.91 KDM4E (0.34) KDM4ETSHRSMN1; SMN2POLBALDH1A1
SCHEMBL782185 0.91 KDM4E (0.34) KDM4ETSHRSMN1; SMN2POLBALDH1A1
SCHEMBL782427 0.90 KDM4E (0.44) KDM4ETSHRSMN1; SMN2POLBALDH1A1
SCHEMBL782286 0.88 KMT2A (0.33) TSHRSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL782501 0.86 TSHR (0.33) KDM4ETSHRSMN1; SMN2POLBALDH1A1
SCHEMBL782580 0.85 ALDH1A1 (0.33) POLBALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL13081170 0.85 KMT2A (0.35) KDM4ETSHRSMN1; SMN2POLBALDH1A1
SCHEMBL782469 0.83 ACACB (0.32)
SCHEMBL12070216 0.83 SMN1; SMN2 (0.33) KDM4ETSHRSMN1; SMN2POLBALDH1A1
SCHEMBL782386 0.83 CUL4A (0.31) TSHRKMT2AMEN1L3MBTL1LMNA

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 5 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
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 KDM4E 3621/4885TSHR 107/4885SMN1; SMN2 2021/4885

“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.