SCHEMBL21060948

SCHEMBL21060948

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.40
HPGD P15428 4/20 0.39
NPSR1 Q6W5P4 3/20 0.39
TSHR P16473 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 4/20 0.37
NPC1 O15118 5/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 5/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 2/20 0.36
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL21060961 0.90 LMNA (0.45) NPSR1MAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL21060970 0.90 LMNA (0.45) NPSR1MAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL21060980 0.90 LMNA (0.45) NPSR1MAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL21060923 0.90 LMNA (0.45) NPSR1MAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL21060913 0.90 LMNA (0.45) NPSR1MAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL21060973 0.90 LMNA (0.45) NPSR1MAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL21060903 0.90 LMNA (0.45) NPSR1MAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL21060920 0.90 LMNA (0.45) NPSR1MAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL21060885 0.90 LMNA (0.45) NPSR1MAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL21060941 0.80 HCAR2 (0.38)

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 HTR6 4823/4885HPGD 237/4885NPSR1 3693/4885

“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.