SCHEMBL12549530

SCHEMBL12549530

O=C(O)[C@@H]1C[C@@H](OC(=O)N2Cc3cccc(F)c3C2)[C@H]2CCCC(=O)N21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TRAP1 Q12931 6/20 0.37
▸ DPP8 Q6V1X1 2/20 0.36
▸ DPP9 Q86TI2 2/20 0.36
▸ DPP7 Q9UHL4 2/20 0.36
▸ HSP90B1 P14625 3/20 0.36
▸ DDB1 Q16531 1/20 0.34
▸ CRBN Q96SW2 1/20 0.34
▸ ABHD6 Q9BV23 3/20 0.33
▸ RIPK1 Q13546 1/20 0.33
▸ UCHL1 P09936 2/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ DRD2 P14416 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL12549189 0.89 DPP8 (0.37) TRAP1DPP8DPP9DPP7HSP90B1
SCHEMBL12549505 0.83 DPP8 (0.39) TRAP1DPP8DPP9DPP7HSP90B1
SCHEMBL12571196 0.75 ADORA3 (0.42) —
SCHEMBL12549469 0.74 DPP8 (0.38) TRAP1DPP8DPP9DPP7HSP90B1
SCHEMBL8043831 0.71 DDB1 (0.36) DPP8DPP9DPP7DDB1CRBN
SCHEMBL8203249 0.70 DPP8 (0.40) TRAP1DPP8DPP9DPP7HSP90B1
SCHEMBL13223027 0.69 DPP8 (0.41) TRAP1DPP8DPP9DPP7HSP90B1
SCHEMBL8227303 0.68 TRAP1 (0.55) TRAP1DPP8DPP9DPP7HSP90B1
SCHEMBL4261535 0.68 DPP8 (0.43) TRAP1DPP8DPP9DPP7HSP90B1
SCHEMBL5140972 0.68 TRAP1 (0.42) TRAP1DPP8DPP9DPP7HSP90B1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927484-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2015-01-06 — — US disclosed
US-8927484-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2015-01-06 — — US disclosed
US-20110135599-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-06-09 — — US disclosed
US-20110135599-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-06-09 — — 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-20110135599-A1 ANTIVIRAL COMPOUNDS EIF2AK2, MAVS, HAVCR2 TRAP1 226/4885DPP8 41/4885DPP9 76/4885

“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.

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