SCHEMBL3370259

SCHEMBL3370259

CC(C)Nc1nc(C(=O)O)co1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.37
HDAC1 Q13547 2/20 0.37
HCAR3 P49019 2/20 0.37
NLRP3 Q96P20 3/20 0.33
MAPK1 P28482 1/20 0.33
CES1 P23141 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
ACMSD Q8TDX5 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CTRB1 P17538 1/20 0.32
P4HTM Q9NXG6 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
SCHEMBL12674411 0.86 HDAC1 (0.37) ELANEHDAC1NLRP3MAPK1CTRB1
SCHEMBL17248049 0.86 HDAC1 (0.37) ELANEHDAC1NLRP3MAPK1CTRB1
SCHEMBL22916883 0.83 NPC1 (0.41) HDAC1NLRP3HDAC8HDAC6KDM4E
SCHEMBL18629308 0.79 HDAC1 (0.40) ELANEHDAC1NLRP3CES1HDAC8
SCHEMBL25933192 0.78 HCAR3 (0.41) HDAC1HCAR3CES1HCAR2KDM4E
SCHEMBL3369232 0.78 NLRP3 (0.56) ELANENLRP3
SCHEMBL15053076 0.76 KDM4E (0.46) HDAC1CES1KDM4EALOX15TSHR
SCHEMBL25518364 0.76 HDAC1 (0.36) HDAC1NLRP3CES1HDAC8HDAC6
SCHEMBL23021251 0.75 HDAC1 (0.37) HDAC1NLRP3CES1HDAC8HDAC6
SCHEMBL3539633 0.75 ELANE (0.37) ELANEHDAC1HCAR3NLRP3CES1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150080569-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-03-19 US disclosed
US-20150080569-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-03-19 US disclosed
US-8809266-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-08-19 US disclosed
US-8809266-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-08-19 US disclosed
US-8809267-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-08-19 US disclosed
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-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-20130274439-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2013-10-17 US disclosed
US-20130274439-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2013-10-17 US disclosed
US-20110306541-A1 METHODS FOR TREATING HCV GILEAD SCIENCES, INC. (US) 2011-12-15 US disclosed
EP-2162432-A2 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2010-03-17 EP disclosed
US-20090257978-A1 Antiviral coumpounds GILEAD SCIENCES, INC. (US) 2009-10-15 US disclosed
US-20090257978-A1 Antiviral coumpounds GILEAD SCIENCES, INC. (US) 2009-10-15 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
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
WO-2009005676-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 WO disclosed
WO-2009005677-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 WO 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 (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-20110306541-A1 METHODS FOR TREATING HCV HAVCR2, HCCS, LIPC ELANE 72/4885HDAC1 1242/4885HCAR3 1048/4885
US-20130274439-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ELANE 1237/4885HDAC1 1234/4885HCAR3 4118/4885
US-20090257978-A1 Antiviral coumpounds MAVS, ZC3HAV1, EIF2AK2 ELANE 1807/4885HDAC1 964/4885HCAR3 2507/4885
US-20090186869-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 ELANE 1237/4885HDAC1 1234/4885HCAR3 4118/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ELANE 1237/4885HDAC1 1234/4885HCAR3 4118/4885
US-20150080569-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ELANE 1237/4885HDAC1 1234/4885HCAR3 4118/4885

“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.