SCHEMBL29326207

SCHEMBL29326207

CC(C)Oc1cc(F)ccc1-c1cc2[nH]c(=O)n(-c3cccc4ccccc34)c(=O)c2s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
ADRA1D P25100 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36
CYP1A2 P05177 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
PKM P14618 1/20 0.34
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX12 P18054 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAP2 P11137 1/20 0.33
GNRHR P30968 1/20 0.33
BTK Q06187 1/20 0.32

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
SCHEMBL29326663 0.91 HSD17B10 (0.41) ERCC5FEN1ADRA1BCYP1A2HSD17B10
SCHEMBL27377457 0.90 P2RX7 (0.33) ERCC5FEN1ADRA1DADRA1AADRA1B
SCHEMBL29326658 0.86 ERCC5 (0.39) ERCC5FEN1CYP1A2CYP1A1CYP1B1
SCHEMBL29326200 0.84 CYP1A1 (0.43) ERCC5FEN1CYP1A2CYP1A1CYP1B1
SCHEMBL29326188 0.81 CYP1A1 (0.53) ERCC5FEN1CYP1A2CYP1A1CYP1B1
SCHEMBL27379207 0.81 CDK2 (0.40) HSD17B10PKMCYP3A4CYP2C9KDM4E
SCHEMBL29326183 0.79 ERCC5 (0.43) ERCC5FEN1CYP1A2CYP1A1CYP1B1
SCHEMBL29326179 0.78 ERCC5 (0.41) ERCC5FEN1CYP1A2CYP1A1CYP1B1
SCHEMBL29326210 0.78 ERCC5 (0.40) ERCC5FEN1ADRA1BMAPTHTT
SCHEMBL29326166 0.77 ERCC5 (0.60) ERCC5FEN1ADRA1BCYP1A2CYP1A1

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 1012/4885ADRA1D 4540/4885

“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.