SCHEMBL897112

SCHEMBL897112

COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-n2ccccc2=O)cc1C(C)(C)C

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.75
BRPF1 P55201 2/20 0.41
CYP3A4 P08684 3/20 0.40
BRD4 O60885 7/20 0.36
NR3C1 P04150 1/20 0.34
AR P10275 1/20 0.34
PLAU P00749 1/20 0.34
BRD1 O95696 1/20 0.34
BRD9 Q9H8M2 1/20 0.34
BRPF3 Q9ULD4 1/20 0.34
TP53 P04637 1/20 0.34
F10 P00742 1/20 0.34
PTGS2 P35354 2/20 0.33
FYN P06241 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVR1 Q04771 1/20 0.33
CYP17A1 P05093 1/20 0.33

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
Dasabuvir SCHEMBL31554838 0.85 CRBN (1.00) CRBNBRPF1CYP3A4BRD4NR3C1
Dasabuvir SCHEMBL29838781 0.85 CRBN (1.00) CRBNBRPF1CYP3A4BRD4NR3C1
Dasabuvir SCHEMBL29362730 0.85 CRBN (1.00) CRBNBRPF1CYP3A4BRD4NR3C1
Dasabuvir SCHEMBL351053 0.85 CRBN (1.00) CRBNBRPF1CYP3A4BRD4NR3C1
Dasabuvir SCHEMBL2367922 0.85 CRBN (0.98) CRBNBRPF1CYP3A4BRD4NR3C1
Dasabuvir SCHEMBL2367923 0.85 CRBN (0.98) CRBNBRPF1CYP3A4BRD4NR3C1
Dasabuvir SCHEMBL2367895 0.85 CRBN (0.98) CRBNBRPF1CYP3A4BRD4NR3C1
Dasabuvir SCHEMBL2368084 0.85 CRBN (0.98) CRBNBRPF1CYP3A4BRD4NR3C1
Dasabuvir SCHEMBL2368377 0.85 CRBN (0.98) CRBNBRPF1CYP3A4BRD4NR3C1
Dasabuvir SCHEMBL12537982 0.85 CRBN (0.98) CRBNBRPF1CYP3A4BRD4NR3C1

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 21 patents — showing the first 20. 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
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-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-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-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

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 2389/4885BRPF1 3380/4885CYP3A4 1569/4885
US-20160368905-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF MAVS, ZC3HAV1, EIF2AK2 CRBN 2389/4885BRPF1 3380/4885CYP3A4 1569/4885
US-20120082646-A1 Antiviral Compounds And Uses Thereof MAVS, ZC3HAV1, EIF2AK2 CRBN 2389/4885BRPF1 3380/4885CYP3A4 1569/4885

“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.