SCHEMBL29326746

SCHEMBL29326746

O=c1[nH]c2cc(-c3c(Cl)cccc3-c3cncc(C(F)(F)F)c3)ccc2c(=O)n1-c1cccc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGES O14684 8/20 0.38
CYP2C9 P11712 4/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
KDM4E B2RXH2 2/20 0.37
HTT P42858 1/20 0.37
NPEPPS P55786 1/20 0.35
JAK2 O60674 4/20 0.35
BTK Q06187 4/20 0.35
TNKS O95271 1/20 0.35
ITGA4 P13612 1/20 0.35
ITGB7 P26010 1/20 0.35
GAA P10253 1/20 0.34
TP53 P04637 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MGLL Q99685 1/20 0.34

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
SCHEMBL27379508 0.94 PTGES (0.38) PTGESCYP2C9CYP3A4CYP2C19KDM4E
SCHEMBL29326753 0.90 BTK (0.43) KDM4EHTTJAK2BTKTNKS
SCHEMBL29326749 0.89 PTGES (0.41) PTGESCYP2C9CYP3A4CYP2C19KDM4E
SCHEMBL29326720 0.87 PTGES (0.39) PTGESCYP2C9CYP3A4CYP2C19KDM4E
SCHEMBL29326689 0.85 PTGES (0.48) PTGESCYP2C9CYP3A4CYP2C19KDM4E
SCHEMBL29326721 0.85 PKM (0.41) PTGESCYP2C9CYP3A4CYP2C19KDM4E
SCHEMBL27379517 0.85 BTK (0.41) PTGESCYP2C9CYP3A4CYP2C19KDM4E
SCHEMBL29326735 0.85 KDM4E (0.37) PTGESCYP2C9CYP3A4CYP2C19KDM4E
SCHEMBL29326680 0.85 BTK (0.39) PTGESCYP2C9CYP3A4CYP2C19KDM4E
SCHEMBL29326451 0.84 KDM4E (0.45) PTGESCYP2C9CYP3A4CYP2C19KDM4E

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 263/4885CYP3A4 195/4885

“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.