SCHEMBL483387

SCHEMBL483387

COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(N2CC(=O)NC2=O)cc1C(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.67
CYP3A4 P08684 3/20 0.39
TDP2 O95551 3/20 0.35
ROCK2 O75116 2/20 0.34
BRPF1 P55201 1/20 0.33
NR3C1 P04150 1/20 0.33
AR P10275 1/20 0.33
TP53 P04637 1/20 0.33
BRD4 O60885 2/20 0.33
RIPK2 O43353 1/20 0.33
ACVR1 Q04771 1/20 0.33
NOD2 Q9HC29 1/20 0.33
PTGS2 P35354 1/20 0.33
KDM1A O60341 1/20 0.32
MET P08581 1/20 0.32
ABL1 P00519 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
SCHEMBL1530799 0.91 CRBN (0.65) CRBNCYP3A4TDP2ROCK2BRPF1
SCHEMBL483363 0.86 CRBN (0.67) CRBNCYP3A4ROCK2BRPF1NR3C1
SCHEMBL483268 0.84 CRBN (0.65) CRBNCYP3A4ROCK2BRPF1NR3C1
SCHEMBL482550 0.84 CRBN (0.65) CRBNCYP3A4TP53
SCHEMBL482143 0.83 CRBN (0.64) CRBNCYP3A4ROCK2BRPF1NR3C1
SCHEMBL2915613 0.81 CRBN (0.65) CRBNCYP3A4BRPF1NR3C1AR
Dasabuvir SCHEMBL29838781 0.80 CRBN (1.00) CRBNCYP3A4BRPF1NR3C1AR
Dasabuvir SCHEMBL29362730 0.80 CRBN (1.00) CRBNCYP3A4BRPF1NR3C1AR
Dasabuvir SCHEMBL31554838 0.80 CRBN (1.00) CRBNCYP3A4BRPF1NR3C1AR
Dasabuvir SCHEMBL351053 0.80 CRBN (1.00) CRBNCYP3A4BRPF1NR3C1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353091-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2016-05-31 US claimed
US-20150056164-A1 Antiviral Compounds and Uses Thereof ABBVIE INC. (US) 2015-02-26 US claimed
US-9637478-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2017-05-02 US disclosed
US-9637478-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2017-05-02 US disclosed
EP-2411352-B1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBVIE INC (US) 2017-01-18 EP disclosed
EP-2411352-B1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBVIE INC (US) 2017-01-18 EP disclosed
US-20160368905-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LABORATORIES 2016-12-22 US disclosed
US-20160368905-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LABORATORIES 2016-12-22 US disclosed
US-9353091-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2016-05-31 US disclosed
US-9353091-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2016-05-31 US disclosed
US-20150056164-A1 Antiviral Compounds and Uses Thereof ABBVIE INC. (US) 2015-02-26 US disclosed
US-20150056164-A1 Antiviral Compounds and Uses Thereof ABBVIE INC. (US) 2015-02-26 US disclosed
US-8748443-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2014-06-10 US disclosed
US-8748443-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2014-06-10 US disclosed
US-20120082646-A1 Antiviral Compounds And Uses Thereof ABBOTT LABORATORIES (US) 2012-04-05 US disclosed
US-20120082646-A1 Antiviral Compounds And Uses Thereof ABBOTT LABORATORIES (US) 2012-04-05 US disclosed
EP-2411352-A2 ANTIVIRAL COMPOUNDS AND USES THEREOF Abbott Laboratories (US) 2012-02-01 EP disclosed
WO-2010111436-A2 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-09-30 WO disclosed
WO-2010111436-A2 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-09-30 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 (3 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-20150056164-A1 Antiviral Compounds and Uses Thereof MAVS, ZC3HAV1, EIF2AK2 CRBN 2389/4885CYP3A4 1569/4885TDP2 3135/4885
US-20160368905-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF MAVS, ZC3HAV1, EIF2AK2 CRBN 2389/4885CYP3A4 1569/4885TDP2 3135/4885
US-20120082646-A1 Antiviral Compounds And Uses Thereof MAVS, ZC3HAV1, EIF2AK2 CRBN 2389/4885CYP3A4 1569/4885TDP2 3135/4885

“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.