SCHEMBL21060968

SCHEMBL21060968

CCCCCCCCCCCCc1c[nH]c(C(=O)OCC)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
NOD2 Q9HC29 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
HTR1A P08908 1/20 0.38
MTOR P42345 1/20 0.38
ALOX15 P16050 3/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL21060872 1.00 KDM4E (0.43) KDM4ENOD2SMN1; SMN2LMNAMAPK1
SCHEMBL21060865 1.00 KDM4E (0.43) KDM4ENOD2SMN1; SMN2LMNAMAPK1
SCHEMBL21060878 1.00 KDM4E (0.43) KDM4ENOD2SMN1; SMN2LMNAMAPK1
SCHEMBL21061092 1.00 KDM4E (0.43) KDM4ENOD2SMN1; SMN2LMNAMAPK1
SCHEMBL21060962 1.00 KDM4E (0.43) KDM4ENOD2SMN1; SMN2LMNAMAPK1
SCHEMBL21060900 1.00 KDM4E (0.43) KDM4ENOD2SMN1; SMN2LMNAMAPK1
SCHEMBL21060949 1.00 KDM4E (0.43) KDM4ENOD2SMN1; SMN2LMNAMAPK1
SCHEMBL21060958 0.89 SMN1; SMN2 (0.39) KDM4ENOD2SMN1; SMN2LMNAMAPK1
SCHEMBL21061096 0.89 LMNA (0.38) KDM4ENOD2LMNAMAPK1ALDH1A1
SCHEMBL21061076 0.89 LMNA (0.38) KDM4ENOD2LMNAMAPK1ALDH1A1

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 KDM4E 1463/4885NOD2 3128/4885SMN1; SMN2 4313/4885

“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.