SCHEMBL7946976

SCHEMBL7946976

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)[C@@H](Nc1cccc(C(F)(F)F)c1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.47
ABCC1 P33527 1/20 0.42
ABCC2 Q92887 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
CYP3A4 P08684 2/20 0.42
CTSB P07858 1/20 0.41
PPP3CB P16298 1/20 0.41
ELANE P08246 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL7944728 1.00 CTSS (0.47) CTSSABCC1ABCC2ABCG2CYP3A4
SCHEMBL7936765 0.94 CTSS (0.47) CTSSABCC1ABCC2ABCG2CYP3A4
SCHEMBL13336835 0.94 CTSS (0.48) CTSSABCC1ABCC2ABCG2CYP3A4
SCHEMBL10070447 0.94 ABCC1 (0.41) CTSSABCC1ABCC2ABCG2CYP3A4
SCHEMBL7936960 0.93 ABCC1 (0.41) CTSSABCC1ABCC2ABCG2CYP3A4
SCHEMBL7943699 0.93 ABCC1 (0.41) CTSSABCC1ABCC2ABCG2CYP3A4
SCHEMBL1688333 0.92 CTSS (0.46) CTSSABCC1ABCC2ABCG2CYP3A4
SCHEMBL13336845 0.92 CTSS (0.48) CTSSABCC1ABCC2ABCG2CYP3A4
SCHEMBL7949465 0.91 CTSS (0.44) CTSSABCC1ABCC2ABCG2CYP3A4
SCHEMBL7944237 0.91 CTSS (0.48) CTSSABCC1ABCC2ABCG2CYP3A4

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 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.