SCHEMBL896538

SCHEMBL896538

COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-c2cccnc2OC(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.53
CYP3A4 P08684 3/20 0.42
MET P08581 2/20 0.38
FYN P06241 2/20 0.38
TGFBR1 P36897 1/20 0.38
ACVR1 Q04771 1/20 0.38
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
TYK2 P29597 2/20 0.35
JAK3 P52333 2/20 0.35
PTGES2 Q9H7Z7 1/20 0.35
TP53 P04637 2/20 0.35
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPK10 P53779 2/20 0.34

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
SCHEMBL482910 0.87 CRBN (0.53) CRBNCYP3A4FYNTGFBR1ACVR1
SCHEMBL897030 0.82 NPSR1 (0.48) CRBNCYP3A4FYNTGFBR1ACVR1
SCHEMBL897068 0.81 CRBN (0.49) CRBNCYP3A4FYNTGFBR1ACVR1
SCHEMBL482606 0.80 CYP3A4 (0.65) CRBNCYP3A4FYNTGFBR1ACVR1
SCHEMBL896311 0.80 CRBN (0.46) CRBNCYP3A4FYNTGFBR1ACVR1
SCHEMBL482659 0.78 CRBN (0.56) CRBNCYP3A4FYNTGFBR1ACVR1
SCHEMBL896347 0.77 NPSR1 (0.48) CRBNCYP3A4FYNTGFBR1ACVR1
SCHEMBL896664 0.77 MEN1 (0.46) CRBNCYP3A4FYNTGFBR1ACVR1
SCHEMBL896302 0.76 CRBN (0.62) CRBNCYP3A4METFYNTGFBR1
SCHEMBL2745740 0.76 CRBN (0.57) CRBNCYP3A4METFYNTGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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-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 2389/4885CYP3A4 1569/4885MET 2567/4885
US-20160368905-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF MAVS, ZC3HAV1, EIF2AK2 CRBN 2389/4885CYP3A4 1569/4885MET 2567/4885
US-20120082646-A1 Antiviral Compounds And Uses Thereof MAVS, ZC3HAV1, EIF2AK2 CRBN 2389/4885CYP3A4 1569/4885MET 2567/4885

“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.