SCHEMBL13336989

SCHEMBL13336989

CC(C)(C)OC(=O)N1C[C@H](OC(=O)N2Cc3cccc(Cl)c3C2)C[C@H]1C(=O)N[C@]1(C(=O)NS(=O)(=O)C2CC2)C[C@H]1C1CC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.44
▸ ELANE P08246 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ CTSS P25774 1/20 0.36
▸ STS P08842 1/20 0.35
▸ DDB1 Q16531 1/20 0.35
▸ CRBN Q96SW2 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
SCHEMBL13336996 0.91 CYP3A4 (0.36) CYP3A4ELANEKCNH2CTSSSTS
SCHEMBL7936511 0.90 CTSS (0.42) CYP3A4CTSS
SCHEMBL1636582 0.90 CTSS (0.42) CYP3A4CTSS
SCHEMBL3685793 0.90 CTSS (0.42) CYP3A4CTSS
SCHEMBL1636580 0.90 CTSS (0.42) CYP3A4CTSS
SCHEMBL13336904 0.90 CTSS (0.42) CYP3A4CTSS
SCHEMBL12765130 0.88 CYP3A4 (0.39) CYP3A4ELANEKCNH2CTSS
SCHEMBL13336771 0.85 CYP3A4 (0.50) CYP3A4ELANEKCNH2
SCHEMBL12725995 0.85 CYP3A4 (0.45) CYP3A4ELANEKCNH2
SCHEMBL7936165 0.84 CYP3A4 (0.48) CYP3A4ELANEKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100119479-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2010-05-13 — — US disclosed
US-20100119479-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2010-05-13 — — 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-20100119479-A1 THERAPEUTIC ANTIVIRAL PEPTIDES SARS1, VIP, MAVS CYP3A4 3754/4885ELANE 382/4885KCNH2 4764/4885

“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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