SCHEMBL1688335

SCHEMBL1688335

C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3nc(C(C)C)cs3)nc3c(C)c(OC)ccc23)CN1C(=O)[C@@H](Nc1ccc(F)c(C(F)(F)F)c1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.50
CTSB P07858 1/20 0.47
PPP3CB P16298 1/20 0.47
CTSS P25774 1/20 0.45

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
SCHEMBL13365362 0.94 CTSS (0.45) CYP3A4CTSBPPP3CBCTSS
SCHEMBL1688334 0.94 CTSB (0.46) CYP3A4CTSBPPP3CBCTSS
SCHEMBL1688332 0.94 CTSB (0.46) CYP3A4CTSBPPP3CBCTSS
SCHEMBL13336849 0.94 CYP3A4 (0.52) CYP3A4CTSBPPP3CBCTSS
SCHEMBL1688333 0.93 CTSS (0.46) CYP3A4CTSBPPP3CBCTSS
SCHEMBL13336832 0.92 CYP3A4 (0.53) CYP3A4CTSBPPP3CBCTSS
SCHEMBL7876132 0.92 CYP3A4 (0.44) CYP3A4CTSBPPP3CBCTSS
SCHEMBL13365173 0.89 CYP3A4 (0.50) CYP3A4CTSBPPP3CB
SCHEMBL7946617 0.88 CYP3A4 (0.54) CYP3A4CTSBPPP3CBCTSS
SCHEMBL7937348 0.88 CYP3A4 (0.54) CYP3A4CTSBPPP3CBCTSS

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
WO-2012047764-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2012-04-12 WO disclosed
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
WO-2010045266-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2010-04-22 WO 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 3754/4885CTSB 260/4885PPP3CB 987/4885

“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.