SCHEMBL13337206

SCHEMBL13337206

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)C(=O)NS(=O)(=O)C1(C)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.46
CTSB P07858 1/20 0.42
PPP3CB P16298 1/20 0.42
CYP3A4 P08684 1/20 0.37
ADRB3 P13945 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33

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
SCHEMBL8377089 0.94 CTSS (0.44) CTSSCTSBPPP3CBCYP3A4ADRB3
SCHEMBL13337171 0.92 CTSS (0.46) CTSSCTSBPPP3CBCYP3A4ADRB3
SCHEMBL1688359 0.91 CTSB (0.45) CTSSCTSBPPP3CBCYP3A4
SCHEMBL1688358 0.88 CTSS (0.45) CTSSCTSBPPP3CBCYP3A4ADRB3
SCHEMBL16329517 0.88 CTSS (0.45) CTSSCTSBPPP3CBCYP3A4ADRB3
SCHEMBL12794498 0.87 CTSB (0.43) CTSSCTSBPPP3CBCYP3A4
SCHEMBL7876843 0.86 CTSB (0.43) CTSSCTSBPPP3CBCYP3A4
SCHEMBL3478903 0.86 CTSS (0.41) CTSSCTSBPPP3CBCYP3A4
SCHEMBL7942657 0.85 CTSB (0.47) CTSSCTSBPPP3CBCYP3A4
SCHEMBL3478955 0.85 CTSS (0.42) CTSSCTSBPPP3CBCYP3A4

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-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 CTSS 565/4885CTSB 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.