SCHEMBL23660490

SCHEMBL23660490

CC(=O)NCCC#CC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 3/20 0.43
HIF1A Q16665 2/20 0.43
MAPK1 P28482 1/20 0.43
PAOX Q6QHF9 3/20 0.36
ADRA1A P35348 1/20 0.35
MTNR1A P48039 6/20 0.34
MTNR1B P49286 6/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
PTGS1 P23219 1/20 0.33
BLM P54132 1/20 0.33
HSD17B10 Q99714 1/20 0.33
F13A1 P00488 1/20 0.32
KMT2A Q03164 1/20 0.31
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL10223342 0.80 TSHR (0.39) TSHRALDH1A1KDM4EHIF1AMAPK1
SCHEMBL12061816 0.76
SCHEMBL23660492 0.73 TSHR (0.34) TSHRHIF1AKMT2A
SCHEMBL23660496 0.73 LMNA (0.30) LMNA
SCHEMBL22856394 0.71 KDM4E (0.43) TSHRALDH1A1KDM4EHIF1AMAPK1
SCHEMBL22856302 0.71 PAOX (0.44) TSHRALDH1A1KDM4EHIF1AMAPK1
SCHEMBL7201672 0.71 KDM4E (0.43) TSHRALDH1A1KDM4EHIF1AMAPK1
SCHEMBL21847803 0.71 KDM4E (0.43) TSHRALDH1A1KDM4EHIF1AMAPK1
SCHEMBL293766 0.70
SCHEMBL6853744 0.70

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-20210221821-A1 TERT-BUTYL (S)-2-(4-(PHENYL)-6H-THIENO[3, 2-F][1, 2, 4]TRIAZOLO[4, 3-A] [1,4]DIAZEPIN-6-YL) ACETATE DERIVATIVES AND RELATED COMPOUNDS AS BROMODOMAIN BRD4 INHIBITORS FOR TREATING CANCER GENENTECH, INC. (US) 2021-07-22 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-20210221821-A1 TERT-BUTYL (S)-2-(4-(PHENYL)-6H-THIENO[3, 2-F][1, 2, 4]TRIAZOLO[4, 3-A] [1,4]DIAZEPIN-6-YL) ACETATE DERIVATIVES AND RELATED COMPOUNDS AS BROMODOMAIN BRD4 INHIBITORS FOR TREATING CANCER BRD4, BRD3, BRD2 TSHR 1998/4885ALDH1A1 4236/4885KDM4E 342/4885

“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.