SCHEMBL21060889

SCHEMBL21060889

CCCCCCCCCC(F)(F)COS(=O)(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.41
CES2 O00748 1/20 0.38
LPAR1 Q92633 1/20 0.38
LPAR3 Q9UBY5 1/20 0.38
CA1 P00915 8/20 0.36
CA2 P00918 8/20 0.36
CA9 Q16790 7/20 0.36
CA12 O43570 3/20 0.36
CA7 P43166 3/20 0.36
CA14 Q9ULX7 3/20 0.36
CA3 P07451 2/20 0.36
CA4 P22748 2/20 0.36
CA6 P23280 2/20 0.36
CA5A P35218 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
FAAH O00519 2/20 0.35
RECQL P46063 2/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 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
SCHEMBL21061083 1.00 EPHX1 (0.41) EPHX1CES2LPAR1LPAR3CA1
SCHEMBL22748590 0.84 EPHX1 (0.40) EPHX1CES2LPAR1LPAR3CA1
SCHEMBL21060986 0.84 EPHX1 (0.40) EPHX1CES2LPAR1LPAR3CA1
SCHEMBL22748671 0.84 EPHX1 (0.40) EPHX1CES2LPAR1LPAR3CA1
SCHEMBL22748586 0.84 EPHX1 (0.40) EPHX1CES2LPAR1LPAR3CA1
SCHEMBL12649167 0.77 CA1 (0.55) EPHX1CES2CA1CA2CA9
SCHEMBL902041 0.77 CA1 (0.55) EPHX1CES2CA1CA2CA9
SCHEMBL8376368 0.77 CA1 (0.55) EPHX1CES2CA1CA2CA9
SCHEMBL1744340 0.77 CA1 (0.55) EPHX1CES2CA1CA2CA9
SCHEMBL6427237 0.77 CA1 (0.55) EPHX1CES2CA1CA2CA9

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
US-20210220328-A1 PYRROLE DERIVATIVES AS ACC INHIBITORS ALMIRALL SA (ES) 2021-07-22 US disclosed
WO-2020245291-A1 PYRROLE DERIVATIVES AS ACC INHIBITORS ALMIRALL, S.A. (ES) 2020-12-10 WO 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 EPHX1 1818/4885CES2 584/4885LPAR1 4288/4885

“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.