SCHEMBL29326751

SCHEMBL29326751

Cc1cc(-c2cccc(Cl)c2-c2ccc3c(=O)n(-c4cccc5ccccc45)c(=O)[nH]c3c2)cc(C)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGES O14684 8/20 0.41
CYP2C9 P11712 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.41
TNKS2 Q9H2K2 1/20 0.40
NPEPPS P55786 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
IDO2 Q6ZQW0 1/20 0.39
GRIA1 P42261 2/20 0.38
CACNG8 Q8WXS5 2/20 0.38
GAA P10253 1/20 0.38
ITGA4 P13612 2/20 0.38
ITGB7 P26010 2/20 0.38
JAK2 O60674 1/20 0.38
BTK Q06187 1/20 0.38
TP53 P04637 1/20 0.38
CYP2D6 P10635 1/20 0.36

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
SCHEMBL29326451 0.89 KDM4E (0.45) PTGESCYP2C9KDM4EHTTTNKS2
SCHEMBL29326720 0.88 PTGES (0.39) PTGESCYP2C9KDM4EHTTTNKS2
SCHEMBL29326437 0.87 KDM4E (0.50) PTGESCYP2C9KDM4EHTTNPEPPS
SCHEMBL29326574 0.86 FASN (0.42) PTGESCYP2C9KDM4EHTTNPEPPS
SCHEMBL29326689 0.85 PTGES (0.48) PTGESCYP2C9KDM4EHTTNPEPPS
SCHEMBL29326576 0.85 PTGES (0.40) PTGESCYP2C9KDM4EHTTTNKS2
SCHEMBL29326448 0.85 ITGA4 (0.42) PTGESCYP2C9KDM4EHTTNPEPPS
SCHEMBL29326363 0.84 TNKS2 (0.50) PTGESCYP2C9KDM4EHTTTNKS2
SCHEMBL29326306 0.84 GRIA1 (0.53) KDM4EHTTTNKS2NPEPPSGRIA1
SCHEMBL29326225 0.83 NPEPPS (0.48) PTGESKDM4EHTTTNKS2NPEPPS

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 PTGES 1477/4885CYP2C9 263/4885KDM4E 3744/4885

“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.