SCHEMBL29326494

SCHEMBL29326494

Cc1c(C2CCOCC2)cccc1-n1c(=O)[nH]c2cc(-c3ccccc3Cl)sc2c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35
BTK Q06187 4/20 0.35
JAK2 O60674 3/20 0.35
PIK3CA P42336 1/20 0.34
ADRA1B P35368 1/20 0.33
ALDH1A1 P00352 5/20 0.33
HTT P42858 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MCHR1 Q99705 1/20 0.32
GRIA1 P42261 1/20 0.32
CACNG8 Q8WXS5 1/20 0.32
TSHR P16473 2/20 0.32
PIK3C3 Q8NEB9 2/20 0.32
MAPK14 Q16539 2/20 0.31
LCK P06239 1/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL29326555 0.93 ERCC5 (0.36) ERCC5FEN1PIK3CAADRA1BALDH1A1
SCHEMBL27192121 0.89 MAPK14 (0.33) ERCC5FEN1PIK3CAMCHR1PIK3C3
SCHEMBL30701990 0.89 MAPK14 (0.33) ERCC5FEN1PIK3CAMCHR1PIK3C3
SCHEMBL29326527 0.86 HCAR1 (0.40) ERCC5FEN1PIK3CAADRA1BALDH1A1
SCHEMBL27378918 0.84 RPS6KA3 (0.35) ERCC5FEN1PIK3CAMCHR1PIK3C3
SCHEMBL27381086 0.82 ERCC5 (0.34) ERCC5FEN1PIK3CAADRA1BHTT
SCHEMBL29326530 0.82 ERCC5 (0.42) ERCC5FEN1BTKJAK2HTT
SCHEMBL29326559 0.80 PIK3C3 (0.44) ERCC5FEN1ADRA1BALDH1A1HTT
SCHEMBL29326549 0.79 HSD17B10 (0.38) ERCC5FEN1BTKJAK2ADRA1B
SCHEMBL30702053 0.78 CYP17A1 (0.39) ERCC5FEN1

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 ERCC5 2042/4885FEN1 1012/4885BTK 2121/4885

“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.