SCHEMBL21060941

SCHEMBL21060941

O=C(O)c1[nH]c(CCCCCCCCCCCCCCF)cc1F

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.38
HCAR3 P49019 2/20 0.36
GPR17 Q13304 4/20 0.35
GPR84 Q9NQS5 9/20 0.34
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32

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
SCHEMBL21060935 0.86 HCAR2 (0.54) HCAR2HCAR3GPR84RARARARB
SCHEMBL21060982 0.86 HCAR2 (0.54) HCAR2HCAR3GPR84RARARARB
SCHEMBL21060943 0.86 HCAR2 (0.54) HCAR2HCAR3GPR84RARARARB
SCHEMBL23646003 0.86 HCAR2 (0.54) HCAR2HCAR3GPR84RARARARB
SCHEMBL21061086 0.86 HCAR2 (0.54) HCAR2HCAR3GPR84RARARARB
SCHEMBL23645993 0.86 HCAR2 (0.54) HCAR2HCAR3GPR84RARARARB
SCHEMBL21061166 0.86 HCAR2 (0.54) HCAR2HCAR3GPR84RARARARB
SCHEMBL21060989 0.86 HCAR2 (0.54) HCAR2HCAR3GPR84RARARARB
SCHEMBL21060895 0.86 HCAR2 (0.54) HCAR2HCAR3GPR84RARARARB
SCHEMBL21060948 0.80 HTR6 (0.40)

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 6 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 claimed
CN-111886230-A Pyrrole derivatives as ACC inhibitors 阿尔米雷尔有限公司 2020-11-03 CN claimed
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 HCAR2 1109/4885HCAR3 1397/4885GPR17 2740/4885

“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.