SCHEMBL206566

SCHEMBL206566

CC[N+]([O-])(C(=O)C1CC(C#N)CN1C(=O)OC(C)(C)C)c1ccc(Br)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.35
HSD11B1 P28845 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
RORC P51449 2/20 0.32
MCL1 Q07820 4/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
KCNK3 O14649 1/20 0.31
KCNK9 Q9NPC2 1/20 0.31
HTRA1 Q92743 1/20 0.31
ABL1 P00519 1/20 0.31
BCR P11274 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
SCHEMBL14915003 0.84 HSD11B1 (0.34) HSD11B1HDAC8NR1H2NR1H3RORC
SCHEMBL204403 0.79 KMT2A (0.46) KMT2A
SCHEMBL203489 0.77 RORC (0.35) HSD11B1HDAC8NR1H2NR1H3RORC
SCHEMBL205118 0.77 KMT2A (0.36) HDAC8NR1H2NR1H3KMT2A
SCHEMBL12492583 0.75 KMT2A (0.41) ARNR1H2NR1H3RORCKMT2A
SCHEMBL12098788 0.75 KMT2A (0.41) ARNR1H2NR1H3RORCKMT2A
SCHEMBL2756972 0.74 MALT1 (0.39) ARHSD11B1MCL1KMT2ACYP1A2
SCHEMBL2706994 0.74 MALT1 (0.39) ARHSD11B1MCL1KMT2ACYP1A2
SCHEMBL206565 0.74 MALT1 (0.39) ARHSD11B1MCL1KMT2ACYP1A2
SCHEMBL20055112 0.74 MALT1 (0.39) ARHSD11B1MCL1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3626716-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-03-25 EP disclosed
US-9981955-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-05-29 US disclosed
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 EP disclosed
EP-3002281-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-09-13 EP disclosed
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 US disclosed
EP-3002281-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2016-04-06 EP disclosed
US-8841278-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-23 US disclosed
US-20140249074-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2014-09-04 US disclosed
US-8822430-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-02 US disclosed
US-20140039021-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-06 US disclosed
US-8575118-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-11-05 US disclosed
US-20130137877-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-30 US disclosed
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 US disclosed
US-8273341-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-09-25 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
EP-2430014-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2012-03-21 EP disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 US disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 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 (7 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-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 AR 4666/4885HSD11B1 3792/4885HDAC8 1196/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 AR 4666/4885HSD11B1 3792/4885HDAC8 1196/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 AR 4666/4885HSD11B1 3792/4885HDAC8 1196/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 AR 4666/4885HSD11B1 3792/4885HDAC8 1196/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 AR 4666/4885HSD11B1 3792/4885HDAC8 1196/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 AR 4666/4885HSD11B1 3792/4885HDAC8 1196/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 AR 4666/4885HSD11B1 3792/4885HDAC8 1196/4885

“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.