SCHEMBL769100

SCHEMBL769100

COc1ccc(CSC2(C(=O)O)CCN(OC)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 3/20 0.40
CHRM5 P08912 5/20 0.39
CHRM3 P20309 5/20 0.39
CHRM1 P11229 4/20 0.39
MCL1 Q07820 1/20 0.39
KCNH2 Q12809 1/20 0.39
LDHA P00338 1/20 0.39
EPHX1 P07099 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
IDO1 P14902 1/20 0.38
FFAR1 O14842 1/20 0.38

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
SCHEMBL769049 0.89 SMN1; SMN2 (0.42) SMN1; SMN2MAPTKCNH2ALDH1A1MEN1
SCHEMBL8823362 0.88 LDHA (0.46) SMN1; SMN2LDHAEPHX1IDO1FFAR1
SCHEMBL7827231 0.85 LDHA (0.44) SMN1; SMN2MAPTLDHAEPHX1ALDH1A1
SCHEMBL812289 0.84 MAPT (0.45) SMN1; SMN2MAPTLDHAEPHX1ALDH1A1
SCHEMBL7829414 0.81 KDM1A (0.48) SMN1; SMN2MAPTALDH1A1
SCHEMBL7828984 0.76 EPHX1 (0.46) SMN1; SMN2MAPTCHRM5CHRM3CHRM1
SCHEMBL768838 0.76 L3MBTL1 (0.35) MAPTKCNH2ALDH1A1MEN1KMT2A
SCHEMBL7824133 0.74 LDHA (0.39) SMN1; SMN2MAPTLDHAEPHX1ALDH1A1
SCHEMBL7825227 0.74 LDHA (0.39) SMN1; SMN2MAPTLDHAEPHX1ALDH1A1
SCHEMBL7825219 0.74 FFAR1 (0.41) SMN1; SMN2MAPTLDHAEPHX1ALDH1A1

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 9 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-8574607-B2 Spiroheterocyclic thiofuran dione derivatives SYNGENTA CROP PROTECTION, INC. (US) 2013-11-05 US disclosed
WO-2012069008-A1 3-SUBSTITUTED SPIROHETEROCYCLIC FURAN AND THIOFURAN DIONE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-31 WO 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
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
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 SMN1; SMN2 2021/4885MAPT 4543/4885CHRM5 1553/4885

“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.