SCHEMBL29326663

SCHEMBL29326663

COc1cc(F)ccc1-c1cc2[nH]c(=O)n(-c3cccc4ccccc34)c(=O)c2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.41
PKM P14618 1/20 0.41
CDK2 P24941 1/20 0.40
GSK3B P49841 1/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 3/20 0.39
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HIF1A Q16665 1/20 0.37
ACHE P22303 1/20 0.36
ADRA1B P35368 1/20 0.36
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
EGLN3 Q9H6Z9 2/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP1B1 Q16678 1/20 0.35
TNKS O95271 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
SCHEMBL29326207 0.91 ERCC5 (0.36) HSD17B10PKMCDK2GSK3BALDH1A1
SCHEMBL27379207 0.89 CDK2 (0.40) HSD17B10PKMCDK2GSK3BALDH1A1
SCHEMBL29326658 0.88 ERCC5 (0.39) PKMGSK3BALDH1A1KDM4EERCC5
SCHEMBL29326200 0.86 CYP1A1 (0.43) KDM4EERCC5FEN1CYP1A1CYP1A2
SCHEMBL29326188 0.82 CYP1A1 (0.53) GSK3BALDH1A1KDM4EERCC5FEN1
SCHEMBL29326212 0.82 HSD17B10 (0.41) HSD17B10PKMALDH1A1KDM4EHPGD
SCHEMBL29326651 0.81 HSD17B10 (0.45) HSD17B10PKMALDH1A1KDM4EHPGD
SCHEMBL27377457 0.81 P2RX7 (0.33) HSD17B10PKMCDK2GSK3BERCC5
SCHEMBL29326183 0.80 ERCC5 (0.43) GSK3BALDH1A1KDM4EHPGDERCC5
SCHEMBL29326210 0.80 ERCC5 (0.40) ALDH1A1KDM4EERCC5FEN1SMN1; SMN2

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 433/4885PKM 2848/4885CDK2 142/4885

“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.