SCHEMBL2265092

SCHEMBL2265092

N#CCC(=O)NCC(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.54
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
ALDH1A1 P00352 4/20 0.38
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP3A4 P08684 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 2/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK1 P28482 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KDM4E B2RXH2 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL26123879 0.79 MCL1 (0.57) MCL1CTSSCTSKALDH1A1GAA
SCHEMBL12681968 0.78 MCL1 (0.59) MCL1ALDH1A1GAASMN1; SMN2CYP3A4
SCHEMBL14466238 0.76 CTSS (0.40) MCL1CTSSCTSKALDH1A1SMN1; SMN2
SCHEMBL26121741 0.76 CTSS (0.34) MCL1CTSSCTSKALDH1A1GAA
SCHEMBL6217575 0.74 MCL1 (0.74) MCL1ALDH1A1GAASMN1; SMN2CYP3A4
SCHEMBL28054689 0.73 MCL1 (0.50) MCL1ALDH1A1GAASMN1; SMN2CYP3A4
SCHEMBL17365563 0.72 MCL1 (0.52) MCL1CTSSCTSKALDH1A1GAA
SCHEMBL15271725 0.72 LMNA (0.39) ALDH1A1GAASMN1; SMN2HTTKMT2A
SCHEMBL5154225 0.72
SCHEMBL5146605 0.72 LMNA (0.39) ALDH1A1GAASMN1; SMN2HTTKMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023193809-A1 SARM1 INHIBITOR COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND PREPARATION METHOD THEREFOR AND USES THEREOF 深圳众格生物科技有限公司 2023-10-12 WO disclosed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
EP-1465869-A4 MODULATORS OF LXR X CEPTOR THERAPEUTICS INC (US) 2005-12-28 EP disclosed
EP-1465869-A1 MODULATORS OF LXR X-Ceptor Therapeutics, Inc. (US) 2004-10-13 EP disclosed
US-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS, INC. 2003-09-25 US disclosed
WO-2003059884-A1 MODULATORS OF LXR X-CEPTOR THERAPEUTICS, INC. (US) 2003-07-24 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-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors NR1H2, NR1H3, NCOA1 MCL1 3083/4885CTSS 4497/4885CTSK 4109/4885

“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.