SCHEMBL21060862

SCHEMBL21060862

COC(=O)c1[nH]cc(O)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
POLB P06746 1/20 0.44
NFKB1 P19838 1/20 0.44
GFER P55789 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
FUT7 Q11130 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA12 O43570 6/20 0.41
CA1 P00915 6/20 0.41
CA2 P00918 6/20 0.41
CA7 P43166 6/20 0.41
CA9 Q16790 6/20 0.41
CA14 Q9ULX7 6/20 0.41
NR4A2 P43354 5/20 0.39
KDM4C Q9H3R0 1/20 0.39

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
SCHEMBL3554714 0.84 NR4A2 (0.42) XDHLMNAKDM4EGAAPOLB
SCHEMBL16236707 0.82 TDP1 (0.39) XDHLMNAKDM4EGAAPOLB
SCHEMBL16116224 0.81 NR4A2 (0.37) XDHLMNAKDM4EGAAPOLB
SCHEMBL3028817 0.79 NR4A2 (0.43) NR4A2NPSR1CREBBP
SCHEMBL3030002 0.79 NR4A2 (0.43) NR4A2CREBBP
SCHEMBL3024207 0.78 PIM1 (0.41) KDM4ETDP1NR4A2ALDH1A1HTT
SCHEMBL3033301 0.78 NR4A2 (0.42) GAANR4A2TSHRALDH1A1CREBBP
SCHEMBL16236516 0.78 NR4A2 (0.36) XDHLMNAKDM4EGAAPOLB
SCHEMBL3027903 0.77 NR4A2 (0.41) LMNANR4A2ALDH1A1CREBBP
SCHEMBL16236728 0.75 SLC6A3 (0.39) KDM4EGAANFKB1NR4A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210220328-A1 PYRROLE DERIVATIVES AS ACC INHIBITORS ALMIRALL SA (ES) 2021-07-22 US disclosed
CN-111886230-A Pyrrole derivatives as ACC inhibitors 阿尔米雷尔有限公司 2020-11-03 CN disclosed
EP-3724182-A1 PYRROLE DERIVATIVES AS ACC INHIBITORS Almirall S.A. (ES) 2020-10-21 EP disclosed
WO-2019115405-A1 PYRROLE DERIVATIVES AS ACC INHIBITORS ALMIRALL, S.A. (ES) 2019-06-20 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 (1 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-20210220328-A1 PYRROLE DERIVATIVES AS ACC INHIBITORS ACACA, ACACB, PCCA XDH 1142/4885LMNA 4141/4885KDM4E 1463/4885

“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.