SCHEMBL483363

SCHEMBL483363

COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(N2CCNC2=O)cc1C(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.67
CYP3A4 P08684 3/20 0.41
BRD4 O60885 3/20 0.36
RIPK2 O43353 2/20 0.36
ACVR1 Q04771 2/20 0.36
NOD2 Q9HC29 2/20 0.36
EP300 Q09472 1/20 0.36
NR3C1 P04150 1/20 0.35
AR P10275 1/20 0.35
ROCK2 O75116 2/20 0.34
BRPF1 P55201 1/20 0.33
TP53 P04637 1/20 0.33
MAP4K1 Q92918 1/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33
PTGS2 P35354 1/20 0.33
KDM1A O60341 1/20 0.32
MAPKAPK2 P49137 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
SCHEMBL483268 0.95 CRBN (0.65) CRBNCYP3A4BRD4RIPK2ACVR1
SCHEMBL1530799 0.88 CRBN (0.65) CRBNCYP3A4BRD4RIPK2ACVR1
SCHEMBL2915613 0.86 CRBN (0.65) CRBNCYP3A4BRD4RIPK2ACVR1
SCHEMBL483387 0.86 CRBN (0.67) CRBNCYP3A4BRD4RIPK2ACVR1
SCHEMBL482550 0.86 CRBN (0.65) CRBNCYP3A4TP53
SCHEMBL482143 0.85 CRBN (0.64) CRBNCYP3A4RIPK2ACVR1NOD2
Dasabuvir SCHEMBL29362730 0.80 CRBN (1.00) CRBNCYP3A4BRD4NR3C1AR
Dasabuvir SCHEMBL31554838 0.80 CRBN (1.00) CRBNCYP3A4BRD4NR3C1AR
Dasabuvir SCHEMBL29838781 0.80 CRBN (1.00) CRBNCYP3A4BRD4NR3C1AR
Dasabuvir SCHEMBL351053 0.80 CRBN (1.00) CRBNCYP3A4BRD4NR3C1AR

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 18 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

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 1569/4885BRD4 1571/4885
US-20160368905-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF MAVS, ZC3HAV1, EIF2AK2 CRBN 2389/4885CYP3A4 1569/4885BRD4 1571/4885
US-20120082646-A1 Antiviral Compounds And Uses Thereof MAVS, ZC3HAV1, EIF2AK2 CRBN 2389/4885CYP3A4 1569/4885BRD4 1571/4885

“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.