SCHEMBL867580

SCHEMBL867580

CC(C)(C)OC(=O)NC(CO)CO.CS(=O)(=O)O.CS(=O)(=O)O

nearest known ligand 0.46

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA7 P43166 3/20 0.46
TDP1 Q9NUW8 1/20 0.43
CTSK P43235 7/20 0.41
CYP2D6 P10635 1/20 0.41
ATM Q13315 1/20 0.41
CA12 O43570 3/20 0.40
CA14 Q9ULX7 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
CTSS P25774 3/20 0.40
CA4 P22748 1/20 0.38
CA9 Q16790 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 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
SCHEMBL2861782 0.92 CA1 (0.52) CA1CA2CA7TDP1CTSK
SCHEMBL5359903 0.88 CA1 (0.42) CA1CA2CA7TDP1CTSK
SCHEMBL5359907 0.88 CA1 (0.42) CA1CA2CA7TDP1CTSK
SCHEMBL14497006 0.85 CA1 (0.41) CA1CA2CA7CTSKCYP2D6
SCHEMBL14483949 0.85 CA1 (0.41) CA1CA2CA7TDP1CTSK
SCHEMBL2063674 0.85 CA1 (0.41) CA1CA2CA7CTSKCYP2D6
SCHEMBL2063672 0.85 CA1 (0.41) CA1CA2CA7CTSKCYP2D6
SCHEMBL5148859 0.84 CA1 (0.40) CA1CA2CA7TDP1CTSK
SCHEMBL4785508 0.83 CTSK (0.45) TDP1CTSKCTSS
SCHEMBL102361 0.83 CTSK (0.47) CA1CA2CA7TDP1CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2213167-B1 Anthranilamide derivatives and their use for the control of insects and acari SYNGENTA PARTICIPATIONS AG (CH) 2013-07-31 EP disclosed
US-8278464-B2 Insecticides SYNGENTA CROP PROTECTION LLC (US) 2012-10-02 US disclosed
US-20120077991-A1 NOVEL INSECTICIDES SYNGENTA CROP PROTECTION, LLC 2012-03-29 US disclosed
US-8084474-B2 Insecticides SYNGENTA CROP PROTECTION, INC. (US) 2011-12-27 US disclosed
EP-2213167-A1 Anthranilamide derivatives and their use for the control of insects and acari Syngenta Participations AG (CH) 2010-08-04 EP disclosed
US-20100168066-A1 NOVEL INSECTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-07-01 US disclosed
EP-1976385-A2 ANTHRANILAMIDE DERIVATIVES AND THEIR USE FOR THE CONTROL OF INSECTS AND ACARI Syngeta Participations AG (CH) 2008-10-08 EP disclosed
WO-2007080131-A2 ANTHRANILAMIDE DERIVATIVES AND THEIR USE FOR THE CONTROL OF INSECTS AND ACARI SYNGENTA PARTICIPATIONS AG (CH) 2007-07-19 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 (2 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-20120077991-A1 NOVEL INSECTICIDES DDT, CYP4F11, ACHE CA1 2232/4885CA2 1741/4885CA7 3398/4885
US-20100168066-A1 NOVEL INSECTICIDES DDT, ACHE, CYP4F11 CA1 2557/4885CA2 1945/4885CA7 3510/4885

“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.