SCHEMBL13336993

SCHEMBL13336993

CC[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)OC(C)(C)C)C(=O)NS(=O)(=O)C1(C)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.43
ABCC1 P33527 1/20 0.39
ABCC2 Q92887 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
CTSB P07858 1/20 0.39
PPP3CB P16298 1/20 0.39
CYP3A4 P08684 2/20 0.36
MCL1 Q07820 10/20 0.33
ELANE P08246 1/20 0.32
KCNH2 Q12809 1/20 0.32
ADRB3 P13945 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31

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
SCHEMBL13336990 0.92 CTSS (0.51) CTSSABCC1ABCC2ABCG2CTSB
SCHEMBL13336994 0.92 CTSS (0.43) CTSSABCC1ABCC2ABCG2CTSB
SCHEMBL1688359 0.91 CTSB (0.45) CTSSABCC1ABCC2ABCG2CTSB
SCHEMBL7937868 0.90 CTSB (0.43) CTSSABCC1ABCC2ABCG2CTSB
SCHEMBL7942565 0.88 ABCC1 (0.42) CTSSABCC1ABCC2ABCG2CTSB
SCHEMBL13365313 0.88 ABCC1 (0.37) CTSSABCC1ABCC2ABCG2CTSB
SCHEMBL7943699 0.87 ABCC1 (0.41) CTSSABCC1ABCC2ABCG2CTSB
SCHEMBL7936960 0.87 ABCC1 (0.41) CTSSABCC1ABCC2ABCG2CTSB
SCHEMBL1688367 0.87 ABCC1 (0.41) CTSSABCC1ABCC2ABCG2CTSB
SCHEMBL7945227 0.87 ABCC1 (0.41) CTSSABCC1ABCC2ABCG2CTSB

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 565/4885ABCC1 955/4885ABCC2 3069/4885

“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.