SCHEMBL7936458

SCHEMBL7936458

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](Nc1cccc(F)c1)C(C)(C)C)C(=O)NS(=O)(=O)N(C)C

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.47
PPP3CB P16298 1/20 0.47
CYP3A4 P08684 2/20 0.43
CTSS P25774 1/20 0.39
ABCC1 P33527 1/20 0.37
ABCC2 Q92887 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37

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
SCHEMBL7945453 0.93 CTSB (0.46) CTSBPPP3CBCYP3A4CTSSABCC1
SCHEMBL7942657 0.93 CTSB (0.47) CTSBPPP3CBCYP3A4CTSSABCC1
SCHEMBL1688332 0.92 CTSB (0.46) CTSBPPP3CBCYP3A4CTSSABCC1
SCHEMBL13336849 0.88 CYP3A4 (0.52) CTSBPPP3CBCYP3A4CTSS
SCHEMBL13336832 0.88 CYP3A4 (0.53) CTSBPPP3CBCYP3A4CTSS
SCHEMBL1688336 0.88 CTSB (0.46) CTSBPPP3CBCYP3A4CTSSABCC1
SCHEMBL10070447 0.88 ABCC1 (0.41) CTSBPPP3CBCYP3A4CTSSABCC1
SCHEMBL7873605 0.87 CTSB (0.45) CTSBPPP3CBCYP3A4CTSSABCC1
SCHEMBL7936094 0.86 CTSB (0.46) CTSBPPP3CBCYP3A4CTSSABCC1
SCHEMBL1688334 0.86 CTSB (0.46) CTSBPPP3CBCYP3A4CTSSABCC1

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 3 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
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 CTSB 260/4885PPP3CB 987/4885CYP3A4 3754/4885

“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.