SCHEMBL21060958

SCHEMBL21060958

CCOC(=O)c1[nH]cc(CCCCCCCCCCCCBr)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
HTR1A P08908 2/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 4/20 0.36
KDM4E B2RXH2 2/20 0.36
MTOR P42345 1/20 0.36
NPC1 O15118 4/20 0.35
MAPT P10636 3/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
CASP3 P42574 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 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
SCHEMBL21060962 0.89 KDM4E (0.43) SMN1; SMN2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL21060900 0.89 KDM4E (0.43) SMN1; SMN2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL21060872 0.89 KDM4E (0.43) SMN1; SMN2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL21060878 0.89 KDM4E (0.43) SMN1; SMN2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL21060865 0.89 KDM4E (0.43) SMN1; SMN2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL21060968 0.89 KDM4E (0.43) SMN1; SMN2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL21061092 0.89 KDM4E (0.43) SMN1; SMN2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL21060949 0.89 KDM4E (0.43) SMN1; SMN2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL21060931 0.80 LMNA (0.41) SMN1; SMN2RAB9AKDM4EMTORMAPT
SCHEMBL23645995 0.78 LMNA (0.39) CYP3A4RAB9ANPC1MAPTLMNA

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 SMN1; SMN2 4313/4885CYP1A2 728/4885CYP2C9 1393/4885

“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.