SCHEMBL29328540

SCHEMBL29328540

Cc1cccc(C)c1-c1ccc2c(=O)n(-c3cncc4ccccc34)c(=O)[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPEPPS P55786 2/20 0.44
PTGES O14684 2/20 0.41
GRIA1 P42261 2/20 0.41
CACNG8 Q8WXS5 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.41
PKM P14618 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FEN1 P39748 1/20 0.38
AURKA O14965 1/20 0.38
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
TP53 P04637 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
MPL P40238 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 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
SCHEMBL27378398 0.92 PTGES (0.40) NPEPPSPTGESGRIA1CACNG8KDM4E
SCHEMBL27378372 0.92 HSD17B10 (0.45) NPEPPSPTGESGRIA1CACNG8KDM4E
SCHEMBL27378395 0.91 NPEPPS (0.38) NPEPPSPTGESGRIA1CACNG8KDM4E
SCHEMBL27192346 0.90 KDM4E (0.46) NPEPPSPTGESGRIA1CACNG8KDM4E
SCHEMBL27377718 0.90 NPEPPS (0.41) NPEPPSPTGESKDM4EHTTPKM
SCHEMBL29326225 0.88 NPEPPS (0.48) NPEPPSPTGESGRIA1CACNG8KDM4E
SCHEMBL27377731 0.86 BRD4 (0.53) NPEPPSCYP2C9
SCHEMBL27191798 0.86 KDM4E (0.43) NPEPPSPTGESGRIA1CACNG8KDM4E
SCHEMBL29328549 0.86 FEN1 (0.53) NPEPPSPTGESKDM4EHTTPKM
SCHEMBL27377600 0.85 NPEPPS (0.43) NPEPPSKDM4EHTTPKMHSD17B10

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 NPEPPS 168/4885PTGES 1477/4885GRIA1 3704/4885

“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.