SCHEMBL23009264

SCHEMBL23009264

CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccc(Br)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.64
MAPK1 P28482 2/20 0.62
TDP1 Q9NUW8 1/20 0.62
KDM4E B2RXH2 13/20 0.62
CASP1 P29466 6/20 0.62
CASP7 P55210 5/20 0.62
SMN1; SMN2 Q16637 1/20 0.61
HSD17B10 Q99714 7/20 0.59
HPGD P15428 5/20 0.59
GAA P10253 3/20 0.56
HTT P42858 1/20 0.56
FFAR3 O14843 1/20 0.54
ALOX15 P16050 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TSHR P16473 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
BAP1 Q92560 1/20 0.51

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
SCHEMBL3324841 0.89 ALDH1A1 (0.79) ALDH1A1MAPK1KDM4ECASP1CASP7
SCHEMBL3330293 0.89 KDM4E (0.63) ALDH1A1MAPK1TDP1KDM4ECASP1
SCHEMBL3326941 0.88 KDM4E (0.77) ALDH1A1MAPK1KDM4ECASP1CASP7
SCHEMBL3325251 0.88 ALDH1A1 (0.70) ALDH1A1MAPK1KDM4ECASP1CASP7
SCHEMBL3327812 0.85 MAPK1 (0.70) ALDH1A1MAPK1TDP1KDM4ECASP1
SCHEMBL3325121 0.83 POLB (0.54) ALDH1A1MAPK1TDP1KDM4ECASP1
SCHEMBL3320737 0.83 ALDH1A1 (0.65) ALDH1A1MAPK1KDM4ECASP1CASP7
SCHEMBL3325157 0.82 KDM4E (0.70) ALDH1A1MAPK1KDM4ECASP1CASP7
SCHEMBL3325232 0.82 KDM4E (0.59) ALDH1A1MAPK1TDP1KDM4ECASP1
SCHEMBL3325228 0.81 ALDH1A1 (0.81) ALDH1A1MAPK1KDM4ECASP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210047278-A1 E3 UBIQUITIN LIGASE AGONISTS, PHARMACEUTICAL COMPOSITIONS INCLUDING THE E3 UBIQUITIN LIGASE AGONISTS, RELATED METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-02-18 US 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-20210047278-A1 E3 UBIQUITIN LIGASE AGONISTS, PHARMACEUTICAL COMPOSITIONS INCLUDING THE E3 UBIQUITIN LIGASE AGONISTS, RELATED METHODS OF USE UBE3A, NEDD4, ADRM1 ALDH1A1 1174/4885MAPK1 4812/4885TDP1 2435/4885

“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.