SCHEMBL2010010

SCHEMBL2010010

CC(=O)SC[C@H](COC(C)=S)NC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA7 P43166 2/20 0.37
ATM Q13315 1/20 0.34
CTSK P43235 5/20 0.34
CYP2D6 P10635 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AAK1 Q2M2I8 3/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
SYK P43405 1/20 0.33
CTSS P25774 2/20 0.33
CA9 Q16790 2/20 0.33
CA12 O43570 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32

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
SCHEMBL2010009 0.85 CA1 (0.45) CYP1A2CYP2C9CYP2C19HTTCA1
SCHEMBL6608157 0.82 SMN1; SMN2 (0.44) CYP1A2CYP2C9CYP2C19HTTCA1
SCHEMBL6983670 0.82 SMN1; SMN2 (0.44) CYP1A2CYP2C9CYP2C19HTTCA1
SCHEMBL6400709 0.81 SYK (0.40) CYP1A2CYP2C9CYP2C19HTTCA1
SCHEMBL12301048 0.81 CYP1A2 (0.43) CYP1A2CYP2C9CYP2C19HTTCA1
SCHEMBL13651408 0.81 CYP1A2 (0.43) CYP1A2CYP2C9CYP2C19HTTCA1
SCHEMBL6400733 0.80 CTSK (0.44) CYP1A2CYP2C9CYP2C19HTTCA1
SCHEMBL6605636 0.80 AAK1 (0.49) CA1CA2CA7CTSKCYP2D6
SCHEMBL30175074 0.80 CA1 (0.39) CYP1A2CYP2C9CYP2C19HTTCA1
SCHEMBL15618538 0.78 CA1 (0.46) CYP1A2CYP2C9CYP2C19HTTCA1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11357231-B2 Insecticidal compounds based on isoxazoline derivatives SYNGENTA CROP PROTECTION LLC (US) 2022-06-14 US disclosed
US-20200383330-A1 INSECTICIDAL COMPOUNDS BASED ON ISOXAZOLINE DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2020-12-10 US disclosed
US-10750745-B2 Insecticidal compounds based on isoxazoline derivatives SYNGENTA CROP PROTECTION, LLC (US) 2020-08-25 US disclosed
US-20190166842-A1 INSECTICIDAL COMPOUNDS BASED ON ISOXAZOLINE DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2019-06-06 US disclosed
US-10206400-B2 Insecticidal compounds based on isoxazoline derivatives SYNGENTA PARTICIPATIONS AG (CH) 2019-02-19 US disclosed
US-20170152250-A1 INSECTICIDAL COMPOUNDS BASED ON ISOXAZOLINE DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2017-06-01 US disclosed
US-9609869-B2 Insecticidal compounds based on isoxazoline derivatives SYNGENTA CROP PROTECTION, LLC (US) 2017-04-04 US disclosed
US-20140228577-A1 INSECTICIDAL COMPOUNDS BASED ON ISOXAZOLINE DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2014-08-14 US disclosed
US-8735362-B2 Insecticidal compounds based on isoxazoline derivatives SYNGENTA CROP PROTECTION, LLC (US) 2014-05-27 US disclosed
EP-2507230-A1 INSECTICIDAL COMPOUNDS BASED ON ISOXAZOLINE DERIVATIVES Syngenta Participations AG (CH) 2012-10-10 EP disclosed
US-20120238517-A1 INSECTICIDAL COMPOUNDS BASED ON ISOAZOLINE DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2012-09-20 US disclosed
WO-2011067272-A1 INSECTICIDAL COMPOUNDS BASED ON ISOXAZOLINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2011-06-09 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 (8 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-20140228577-A1 INSECTICIDAL COMPOUNDS BASED ON ISOXAZOLINE DERIVATIVES CHRM1, ACHE, CHRM2 CYP1A2 73/4885CYP2C9 310/4885CYP2C19 1468/4885
US-20200383330-A1 INSECTICIDAL COMPOUNDS BASED ON ISOXAZOLINE DERIVATIVES CYP4X1, NPY4R, CASP3 CYP1A2 19/4885CYP2C9 88/4885CYP2C19 355/4885
US-20120238517-A1 INSECTICIDAL COMPOUNDS BASED ON ISOAZOLINE DERIVATIVES CHRM1, ACHE, CHRM2 CYP1A2 133/4885CYP2C9 436/4885CYP2C19 1447/4885
US-10206400-B2 Insecticidal compounds based on isoxazoline derivatives CHRM1, ACHE, CHRM2 CYP1A2 73/4885CYP2C9 310/4885CYP2C19 1468/4885
US-11357231-B2 Insecticidal compounds based on isoxazoline derivatives CYP4X1, NPY4R, CASP3 CYP1A2 19/4885CYP2C9 88/4885CYP2C19 355/4885
US-20170152250-A1 INSECTICIDAL COMPOUNDS BASED ON ISOXAZOLINE DERIVATIVES CHRM1, ACHE, CHRM2 CYP1A2 73/4885CYP2C9 310/4885CYP2C19 1468/4885
US-10750745-B2 Insecticidal compounds based on isoxazoline derivatives CHRM1, ACHE, CHRM2 CYP1A2 73/4885CYP2C9 310/4885CYP2C19 1468/4885
US-20190166842-A1 INSECTICIDAL COMPOUNDS BASED ON ISOXAZOLINE DERIVATIVES CHRM1, ACHE, CHRM2 CYP1A2 73/4885CYP2C9 310/4885CYP2C19 1468/4885

“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.