SCHEMBL21585754

SCHEMBL21585754

CCOC(=O)c1ccc(C(F)(F)F)c([S+](C)[O-])c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
CA12 O43570 4/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA7 P43166 4/20 0.41
CA9 Q16790 4/20 0.41
CA14 Q9ULX7 4/20 0.41
KDM4E B2RXH2 2/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL17238205 0.80 HDAC4 (0.48) HDAC4HDAC6HDAC3HDAC1CA12
SCHEMBL22462327 0.78 HDAC4 (0.49) HDAC4HDAC6HDAC3HDAC1CA12
SCHEMBL17238204 0.76 HDAC4 (0.43) HDAC4HDAC6HDAC3HDAC1CA12
SCHEMBL21585753 0.74 HDAC4 (0.42) HDAC4HDAC6HDAC3HDAC1CA12
SCHEMBL4262832 0.73 TSHR (0.65) CA12CA1CA2CA7CA9
SCHEMBL30960327 0.73 TSHR (0.65) CA12CA1CA2CA7CA9
SCHEMBL17238203 0.72 HDAC4 (0.46) HDAC4HDAC6HDAC3HDAC1CA12
SCHEMBL21585755 0.72 HDAC3 (0.40) HDAC4HDAC6HDAC3HDAC1CA12
SCHEMBL540542 0.72 TSHR (0.52) HDAC4HDAC6HDAC3HDAC1CA12
SCHEMBL1998616 0.72 CES2 (0.60) HDAC4HDAC6HDAC3HDAC1CA12

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 9 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-20210323950-A1 HERBICIDALLY ACTIVE BICYCLIC BENZOYLPYRAZOLES BAYER AG (DE) 2021-10-21 US disclosed
EP-3802521-A1 HERBICIDALLY ACTIVE BICYCLIC BENZOYLPYRAZOLES Bayer Aktiengesellschaft (DE) 2021-04-14 EP disclosed
CN-112513033-A Herbicidally active bicyclic benzoylpyrazoles 拜耳公司 2021-03-16 CN disclosed
US-20200325159-A1 HERBICIDALLY ACTIVE BICYCLIC BENZAMIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-10-15 US disclosed
CN-111356368-A Herbicidally active bicyclic benzamides 拜耳公司 2020-06-30 CN disclosed
WO-2019233863-A1 HERBICIDALLY ACTIVE BICYCLIC BENZOYLPYRAZOLES BAYER AKTIENGESELLSCHAFT (DE) 2019-12-12 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 (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 HDAC4 986/4885HDAC6 773/4885HDAC3 204/4885
US-20200325159-A1 HERBICIDALLY ACTIVE BICYCLIC BENZAMIDES CBR3, CBR1, AOX1 HDAC4 986/4885HDAC6 773/4885HDAC3 204/4885
US-20210323950-A1 HERBICIDALLY ACTIVE BICYCLIC BENZOYLPYRAZOLES CBR3, CBR1, RTN3 HDAC4 785/4885HDAC6 1130/4885HDAC3 160/4885
US-20240116956-A1 HERBICIDALLY ACTIVE BICYCLIC BENZAMIDES CBR3, CBR1, AOX1 HDAC4 986/4885HDAC6 773/4885HDAC3 204/4885

“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.