SCHEMBL29326549

SCHEMBL29326549

COC(=O)[C@H]1C[C@@H]1c1cccc(-n2c(=O)[nH]c3cc(-c4ccccc4Cl)sc3c2=O)c1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35
BTK Q06187 7/20 0.34
JAK2 O60674 6/20 0.34
ADRA1B P35368 2/20 0.34
TSHR P16473 2/20 0.33
MAPK14 Q16539 2/20 0.32
PYGL P06737 1/20 0.31
PYGM P11217 1/20 0.31
LPAR2 Q9HBW0 1/20 0.31
MAPT P10636 1/20 0.31
EGLN3 Q9H6Z9 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
SCHEMBL27378784 0.90 ALDH1A1 (0.34) HSD17B10ALDH1A1TDP1MEN1RAB9A
SCHEMBL29326514 0.85 TNKS2 (0.41) HSD17B10ALDH1A1TDP1MEN1RAB9A
SCHEMBL29326494 0.79 ERCC5 (0.35) HSD17B10ALDH1A1TDP1MEN1RAB9A
SCHEMBL29326530 0.79 ERCC5 (0.42) ERCC5FEN1BTKJAK2MAPK14
SCHEMBL29326527 0.77 HCAR1 (0.40) HSD17B10ALDH1A1TDP1MEN1RAB9A
SCHEMBL27378764 0.75 TNKS2 (0.39) HSD17B10ALDH1A1TDP1MEN1RAB9A
SCHEMBL27381086 0.74 ERCC5 (0.34) ERCC5FEN1ADRA1BMAPK14
SCHEMBL29326555 0.73 ERCC5 (0.36) ALDH1A1ERCC5FEN1ADRA1BMAPK14
SCHEMBL29326162 0.72 CYP1A1 (0.53) ALDH1A1TDP1ERCC5FEN1BTK
SCHEMBL29326453 0.72 CYP1A1 (0.47) HSD17B10ALDH1A1MEN1KMT2AERCC5

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-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 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-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE HSD17B10 433/4885ALDH1A1 3259/4885TDP1 2732/4885

“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.