SCHEMBL21179401

SCHEMBL21179401

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA12 O43570 3/20 0.44
CA9 Q16790 3/20 0.44
CA7 P43166 2/20 0.43
CA14 Q9ULX7 2/20 0.43
HSD17B10 Q99714 3/20 0.42
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
XBP1 P17861 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TLR9 Q9NR96 1/20 0.42
CYP4F2 P78329 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
SCHEMBL21177157 0.86 CYP4F2 (0.47) TSHRCA1CA2CA12CA9
SCHEMBL31121872 0.86 CYP4F2 (0.47) TSHRCA1CA2CA12CA9
SCHEMBL21596127 0.85 TSHR (0.44) TSHRCA1CA2CA12CA9
SCHEMBL7949545 0.85 TSHR (0.44) TSHRCA1CA2CA12CA9
SCHEMBL4268094 0.84 KDM4E (0.44) TSHRCA1CA2CA9HSD17B10
SCHEMBL22918491 0.84 SMN1; SMN2 (0.43) TSHRCA1CA2CA12CA9
SCHEMBL21177214 0.84 TSHR (0.40) TSHRCA1CA2CA12CA9
SCHEMBL21596128 0.81 CA1 (0.40) TSHRCA1CA2CA12CA9
SCHEMBL28709360 0.81 CA12 (0.42) CA1CA2CA12CA9CA7
SCHEMBL21596130 0.80 TSHR (0.39) TSHRCA1CA2CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108409616-B Preparation method of 3-bromomethyl-2-halo-4-alkylsulfonylbenzoate 北京颖泰嘉和生物科技股份有限公司 2021-10-01 CN claimed
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
CN-117822000-A Cyclosultone intermediate and electrooxidation preparation method thereof 厦门杰青连续流科技有限公司 2024-04-05 CN disclosed
EP-3740470-B1 AMIDINE SUBSTITUTED BENZOYL DERIVATIVES USEFUL AS HERBICIDES SYNGENTA CROP PROTECTION AG (CH) 2022-05-18 EP disclosed
US-11272709-B2 Amidine substituted benzoyl derivatives useful as herbicides SYNGENTA PARTICIPATIONS AG (CH) 2022-03-15 US disclosed
CN-108409616-B Preparation method of 3-bromomethyl-2-halo-4-alkylsulfonylbenzoate 北京颖泰嘉和生物科技股份有限公司 2021-10-01 CN 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
CN-111615508-A Amidine substituted benzoyl derivatives useful as herbicides 先正达参股股份有限公司 2020-09-01 CN 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 TSHR 1441/4885CA1 691/4885CA2 167/4885
US-20200345009-A1 Amidine Substituted Benzoyl Derivatives Useful As Herbicides GLRX3, DDT, BROX TSHR 1441/4885CA1 691/4885CA2 167/4885

“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.