SCHEMBL2013117

SCHEMBL2013117

CCN(CC(O)COCc1ccccc1)S(C)(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.52
PER2 O15055 6/20 0.51
CRY1 Q16526 5/20 0.51
CRY2 Q49AN0 5/20 0.51
CA1 P00915 4/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA4 P22748 1/20 0.48
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.44
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
AGER Q15109 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL26660490 0.85 CRY1 (0.50) HSP90AA1PER2CRY1CRY2CA1
SCHEMBL26660489 0.85 CRY1 (0.50) HSP90AA1PER2CRY1CRY2CA1
SCHEMBL20746713 0.79 CA1 (0.57) CA1CA2CA7CA9CA4
SCHEMBL24180413 0.75 CA1 (0.64) CA1CA2CA7CA9MAPK1
SCHEMBL21344946 0.75 CA1 (0.64) CA1CA2CA7CA9MAPK1
SCHEMBL14040676 0.75 CA1 (0.64) CA1CA2CA7CA9MAPK1
SCHEMBL10511102 0.75 CA1 (0.64) CA1CA2CA7CA9MAPK1
SCHEMBL4570490 0.74 CA1 (0.68) CA1CA2CA7CA9MAPK1
SCHEMBL5516631 0.74 CA1 (0.68) CA1CA2CA7CA9MAPK1
SCHEMBL2717725 0.74 CA1 (0.68) CA1CA2CA7CA9MAPK1

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 28 patents — showing the first 20. 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-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-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-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-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-10206400-B2 Insecticidal compounds based on isoxazoline derivatives SYNGENTA PARTICIPATIONS AG (CH) 2019-02-19 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
US-8735362-B2 Insecticidal compounds based on isoxazoline derivatives SYNGENTA CROP PROTECTION, LLC (US) 2014-05-27 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
US-20120238517-A1 INSECTICIDAL COMPOUNDS BASED ON ISOAZOLINE DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2012-09-20 US 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
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 (7 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 HSP90AA1 1307/4885PER2 4549/4885CRY1 647/4885
US-20200383330-A1 INSECTICIDAL COMPOUNDS BASED ON ISOXAZOLINE DERIVATIVES CYP4X1, NPY4R, CASP3 HSP90AA1 1901/4885PER2 3542/4885CRY1 661/4885
US-20120238517-A1 INSECTICIDAL COMPOUNDS BASED ON ISOAZOLINE DERIVATIVES CHRM1, ACHE, CHRM2 HSP90AA1 1083/4885PER2 4627/4885CRY1 1065/4885
US-10206400-B2 Insecticidal compounds based on isoxazoline derivatives CHRM1, ACHE, CHRM2 HSP90AA1 1307/4885PER2 4549/4885CRY1 647/4885
US-11357231-B2 Insecticidal compounds based on isoxazoline derivatives CYP4X1, NPY4R, CASP3 HSP90AA1 1901/4885PER2 3542/4885CRY1 661/4885
US-10750745-B2 Insecticidal compounds based on isoxazoline derivatives CHRM1, ACHE, CHRM2 HSP90AA1 1307/4885PER2 4549/4885CRY1 647/4885
US-20190166842-A1 INSECTICIDAL COMPOUNDS BASED ON ISOXAZOLINE DERIVATIVES CHRM1, ACHE, CHRM2 HSP90AA1 1307/4885PER2 4549/4885CRY1 647/4885

“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.