SCHEMBL21179378

SCHEMBL21179378

CCOC(=O)c1ccc(S(C)(=O)=O)c(CN(C)C(C)=S)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
TSHR P16473 4/20 0.35
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
MAPT P10636 2/20 0.34
HSD17B10 Q99714 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
XBP1 P17861 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
TLR9 Q9NR96 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL21177175 0.85 CA1 (0.33) CA1CA2CYP4F2CYP4A11CA12
SCHEMBL21179439 0.83 MAPT (0.35) CA1CA2CYP4F2CYP4A11CA12
SCHEMBL28898149 0.80 MAPT (0.36) CA1CA2CYP4F2CYP4A11CA12
SCHEMBL21177459 0.80 KDM4E (0.37) CA1CA2CYP4F2CYP4A11CA12
SCHEMBL31121872 0.79 CYP4F2 (0.47) CA1CA2CYP4F2CYP4A11CA12
SCHEMBL21177157 0.79 CYP4F2 (0.47) CA1CA2CYP4F2CYP4A11CA12
SCHEMBL21179401 0.79 TSHR (0.46) CA1CA2CYP4F2CYP4A11CA12
SCHEMBL21177214 0.77 TSHR (0.40) CA1CA2CYP4F2CYP4A11CA12
SCHEMBL21177394 0.77 CA1 (0.34) CA1CA2CYP4F2CYP4A11CA12
SCHEMBL28449326 0.74 CA1 (0.35) CA1CA2CA12CA9TSHR

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
CN-111615508-B Amidine-substituted benzoyl derivatives useful as herbicides 先正达参股股份有限公司 2024-07-30 CN disclosed
US-11272709-B2 Amidine substituted benzoyl derivatives useful as herbicides SYNGENTA PARTICIPATIONS AG (CH) 2022-03-15 US disclosed
EP-3740470-A1 AMIDINE SUBSTITUTED BENZOYL DERIVATIVES USEFUL AS HERBICIDES Syngenta Crop Protection AG (CH) 2020-11-25 EP disclosed
US-20200345009-A1 Amidine Substituted Benzoyl Derivatives Useful As Herbicides SYNGENTA PARTICIPATIONS AG (CH) 2020-11-05 US disclosed
WO-2019141740-A1 AMIDINE SUBSTITUTED BENZOYL DERIVATIVES USEFUL AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2019-07-25 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-11272709-B2 Amidine substituted benzoyl derivatives useful as herbicides GLRX3, DDT, BROX CA1 691/4885CA2 167/4885CYP4F2 877/4885
US-20200345009-A1 Amidine Substituted Benzoyl Derivatives Useful As Herbicides GLRX3, DDT, BROX CA1 691/4885CA2 167/4885CYP4F2 877/4885

“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.