SCHEMBL976616

SCHEMBL976616

CSc1c(C(=O)O)ccc(C(F)(F)F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.39
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TAS2R14 Q9NYV8 2/20 0.36
PKM P14618 1/20 0.36
LIG1 P18858 1/20 0.36
DAO P14920 1/20 0.36
ASPH Q12797 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
USP2 O75604 1/20 0.36
CYP2C19 P33261 1/20 0.36
SORT1 Q99523 1/20 0.35
CES2 O00748 2/20 0.35
MYC P01106 1/20 0.35
MCL1 Q07820 1/20 0.34
CLCN2 P51788 1/20 0.34
KIF11 P52732 1/20 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
SCHEMBL31440663 1.00 NOTUM (0.39) NOTUMALDH1A1HPGDKDM4EHSD17B10
SCHEMBL1230305 0.87 NOTUM (0.39) NOTUMALDH1A1HPGDKDM4EHSD17B10
SCHEMBL9440024 0.82 CLCN2 (0.45) NOTUMALDH1A1HPGDKDM4EHSD17B10
SCHEMBL29066897 0.80 CA12 (0.38) NOTUMALDH1A1HPGDKDM4EHSD17B10
SCHEMBL412257 0.80 TAS2R14 (0.42) NOTUMALDH1A1HPGDKDM4EHSD17B10
SCHEMBL8494948 0.79 CES2 (0.45) NOTUMALDH1A1KDM4EASPHCES2
SCHEMBL21192829 0.79 CLCN2 (0.42) NOTUMALDH1A1HPGDKDM4EHSD17B10
SCHEMBL29276544 0.79 KDM4E (0.42) NOTUMALDH1A1HPGDKDM4EHSD17B10
SCHEMBL1458482 0.78 KDM4E (0.43) NOTUMALDH1A1HPGDKDM4EHSD17B10
SCHEMBL8493408 0.78 TAS2R14 (0.50) ALDH1A1HPGDKDM4EHSD17B10TAS2R14

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-20240116956-A1 HERBICIDALLY ACTIVE BICYCLIC BENZAMIDES BAYER AKTIENGESELLSCHAFT (DE) 2024-04-11 US disclosed
US-11897904-B2 Herbicidally active bicyclic benzamides BAYER AKTIENGESELLSCHAFT (DE) 2024-02-13 US disclosed
EP-3713417-B1 HERBICIDALLY ACTIVE BICYCLIC BENZAMIDES BAYER AG (DE) 2024-01-17 EP disclosed
US-20200325159-A1 HERBICIDALLY ACTIVE BICYCLIC BENZAMIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-10-15 US disclosed
EP-3713417-A1 HERBICIDALLY ACTIVE BICYCLIC BENZAMIDES Bayer Aktiengesellschaft (DE) 2020-09-30 EP disclosed
CN-111356368-A Herbicidally active bicyclic benzamides 拜耳公司 2020-06-30 CN disclosed
US-8188009-B2 4-(3-aminobenzoyl)-5-cyclopropylisoxazoles effective as herbicides BAYER CROPSCIENCE AG (DE) 2012-05-29 US disclosed
EP-2260027-B1 4-(3-AMINOBENZOYL)-5-CYCLOPROPYLISOXAZOLES EFFECTIVE AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2011-06-29 EP disclosed
US-20110015073-A1 4-(3-AMINOBENZOYL)-5-CYCLOPROPYLISOXAZOLES EFFECTIVE AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2011-01-20 US disclosed
EP-2260027-A1 4-(3-AMINOBENZOYL)-5-CYCLOPROPYLISOXAZOLES EFFECTIVE AS HERBICIDES Bayer CropScience AG (DE) 2010-12-15 EP disclosed
WO-2009118125-A1 4-(3-AMINOBENZOYL)-5-CYCLOPROPYLISOXAZOLES EFFECTIVE AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2009-10-01 WO disclosed
EP-2105437-A1 4-(3-Aminobenzoyl)-5-cyclopropylisoxazols as herbicides Bayer CropScience Aktiengesellschaft (DE) 2009-09-30 EP 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 (4 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-11897904-B2 Herbicidally active bicyclic benzamides CBR3, CBR1, AOX1 NOTUM 1864/4885ALDH1A1 756/4885HPGD 1541/4885
US-20200325159-A1 HERBICIDALLY ACTIVE BICYCLIC BENZAMIDES CBR3, CBR1, AOX1 NOTUM 1864/4885ALDH1A1 756/4885HPGD 1541/4885
US-20240116956-A1 HERBICIDALLY ACTIVE BICYCLIC BENZAMIDES CBR3, CBR1, AOX1 NOTUM 1864/4885ALDH1A1 756/4885HPGD 1541/4885
US-20110015073-A1 4-(3-AMINOBENZOYL)-5-CYCLOPROPYLISOXAZOLES EFFECTIVE AS HERBICIDES CYP4X1, PRDX4, PRDX5 NOTUM 1042/4885ALDH1A1 426/4885HPGD 1693/4885

“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.