SCHEMBL693682

SCHEMBL693682

COc1ccc2c(OC3CC(C(=O)O)N(C(=O)C(NC(=O)OC4CCCC4)C(C)(C)C)C3)cc(-c3csc(NC(C)C)n3)nc2c1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.55
PPP3CB P16298 1/20 0.55
ABCC1 P33527 1/20 0.50
ABCC2 Q92887 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
ADRB3 P13945 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
CYP3A4 P08684 2/20 0.37
ELANE P08246 1/20 0.32

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
SCHEMBL8272992 1.00 CTSB (0.55) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL13522781 1.00 CTSB (0.55) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL8274106 1.00 CTSB (0.55) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL10193686 0.95 CTSB (0.54) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL8274031 0.94 CTSB (0.53) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL8276293 0.94 CTSB (0.53) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL10221250 0.92 CTSB (0.47) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL13083030 0.92 CTSB (0.47) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL13223026 0.92 CTSB (0.47) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL8273160 0.88 CTSB (0.60) 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2422791-B1 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES INC (US) 2014-12-17 EP disclosed
US-8674088-B2 Antiviral phosphinate compounds GILEAD SCIENCES, INC. (US) 2014-03-18 US disclosed
EP-2316839-B1 ANTIVIRAL HETEROCYCLIC COMPOUNDS HAVING PHOSPHONATE GROUPS GILEAD SCIENCES INC (US) 2014-03-12 EP disclosed
US-8586744-B2 Antiviral phosphinate compounds GILEAD SCIENCES, INC. (US) 2013-11-19 US disclosed
EP-2043658-B1 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES INC (US) 2012-04-25 EP disclosed
EP-2422791-A1 Antiviral phosphinate compounds Gilead Sciences, Inc. (US) 2012-02-29 EP disclosed
EP-1778702-B1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2011-07-13 EP disclosed
EP-2316839-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2011-05-04 EP disclosed
US-20110082112-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-04-07 US disclosed
US-20110081314-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-04-07 US disclosed
US-7893264-B2 viricides comprising phosphinic acid compounds and/or mixed with carriers, nucleoside analogues, interferons or pegylated interferons; treating hepatitis C or a hepatitis C associated disorders in animals; side effect reduction GILEAD SCIENCES, INC. (US) 2011-02-22 US disclosed
US-7642339-B2 Hepatitis C; 1-benzyloxycarbonylamino-2-vinyl-cyclopropyl)-phenyl-phosphinic acid ethyl ester GILEAD SCIENCES, INC. (US) 2010-01-05 US disclosed
US-20090227491-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-09-10 US disclosed
EP-2043658-A2 ANTIVIRAL PHOSPHINATE COMPOUNDS Gilead Sciences, Inc. (US) 2009-04-08 EP disclosed
US-20080311077-A1 Antiviral Compounds GILEAD SCIENCES, INC. 2008-12-18 US disclosed
US-20080057031-A1 Antiviral phosphinate compounds GILEAD SCIENCES, INC. (US) 2008-03-06 US disclosed
WO-2008005565-A2 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2008-01-10 WO disclosed
EP-1778702-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2007-05-02 EP disclosed
US-20060122123-A1 Antiviral compounds GILEAD SCIENCES, INC. 2006-06-08 US disclosed
WO-2006020276-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-02-23 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 (6 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-20080057031-A1 Antiviral phosphinate compounds PHOSPHO1, MAVS, ITPA CTSB 1737/4885PPP3CB 149/4885ABCC1 2724/4885
US-20090227491-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS PHOSPHO1, MAVS, ITPA CTSB 1737/4885PPP3CB 149/4885ABCC1 2724/4885
US-20110081314-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS PHOSPHO1, MAVS, ITPA CTSB 1737/4885PPP3CB 149/4885ABCC1 2724/4885
US-20080311077-A1 Antiviral Compounds EIF2AK2, MAVS, ITPA CTSB 1150/4885PPP3CB 292/4885ABCC1 2032/4885
US-20060122123-A1 Antiviral compounds EIF2AK2, MAVS, ITPA CTSB 1150/4885PPP3CB 292/4885ABCC1 2032/4885
US-20110082112-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS HAVCR2, PHOSPHO1, EIF2AK2 CTSB 830/4885PPP3CB 30/4885ABCC1 1676/4885

“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.