SCHEMBL8149776

SCHEMBL8149776

C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1CC(Oc2cc(-c3csc(NC(C)C)n3)nc3c(Cl)c(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)NS(=O)(=O)Oc1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.68
PPP3CB P16298 1/20 0.68
ABCC1 P33527 1/20 0.57
ABCC2 Q92887 1/20 0.57
ABCG2 Q9UNQ0 1/20 0.57
CYP3A4 P08684 1/20 0.48

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
SCHEMBL13757650 1.00 CTSB (0.68) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL13757972 0.95 CTSB (0.63) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL13757651 0.94 CTSB (0.69) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL8142087 0.94 CTSB (0.69) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL13757545 0.92 CTSB (0.62) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL3369276 0.91 CTSB (0.81) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL13757649 0.91 CTSB (0.81) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL15483942 0.91 CTSB (0.68) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL3372659 0.91 CTSB (0.75) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL13757648 0.91 CTSB (0.75) CTSBPPP3CBABCC1ABCC2ABCG2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
WO-2009005677-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 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 (2 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-20090186869-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 CTSB 630/4885PPP3CB 1553/4885ABCC1 1980/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CTSB 630/4885PPP3CB 1553/4885ABCC1 1980/4885

“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.