SCHEMBL478823

SCHEMBL478823

COc1c(C#Cc2ccc(NS(C)(=O)=O)cc2)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.63
CYP3A4 P08684 3/20 0.38
ALDH2 P05091 2/20 0.31
BRD4 O60885 1/20 0.30
DDB1 Q16531 1/20 0.30

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
SCHEMBL1530745 0.91 CRBN (0.66) CRBNCYP3A4BRD4DDB1
SCHEMBL1530701 0.89 CRBN (0.64) CRBNCYP3A4BRD4
SCHEMBL1531039 0.89 CRBN (0.63) CRBNCYP3A4BRD4
SCHEMBL1530321 0.89 CRBN (0.63) CRBNCYP3A4BRD4
SCHEMBL15419007 0.88 CRBN (0.62) CRBNCYP3A4BRD4
SCHEMBL1530679 0.87 CRBN (0.59) CRBNCYP3A4BRD4
SCHEMBL1530851 0.87 CRBN (0.54) CRBN
SCHEMBL1530897 0.86 CRBN (0.60) CRBNCYP3A4
SCHEMBL1530227 0.85 CRBN (0.59) CRBNCYP3A4
SCHEMBL15418900 0.85 CRBN (0.49) CRBNCYP3A4ALDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802903-B2 Process for preparing antiviral compound ABBVIE INC. (US) 2017-10-31 US claimed
US-20160060228-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUND ABBOTT LABORATORIES 2016-03-03 US claimed
US-9216952-B2 Process for preparing antiviral compound ABBVIE INC. (US) 2015-12-22 US claimed
EP-2411372-B1 PROCESS FOR PREPARING AN ANTIVIRAL COMPOUND ABBVIE BAHAMAS LTD (BS) 2014-07-23 EP claimed
EP-2222646-B1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C ABBVIE BAHAMAS LTD (BS) 2014-01-22 EP claimed
EP-2411372-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUND Abbott Laboratories (US) 2012-02-01 EP claimed
US-20110237793-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUND ABBOTT LABORATORIES (US) 2011-09-29 US claimed
WO-2010111348-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUND ABBOTT LABORATORIES (US) 2010-09-30 WO claimed
US-9802903-B2 Process for preparing antiviral compound ABBVIE INC. (US) 2017-10-31 US disclosed
US-9802903-B2 Process for preparing antiviral compound ABBVIE INC. (US) 2017-10-31 US disclosed
US-9802903-B2 Process for preparing antiviral compound ABBVIE INC. (US) 2017-10-31 US disclosed
US-20160060228-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUND ABBOTT LABORATORIES 2016-03-03 US disclosed
US-20160060228-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUND ABBOTT LABORATORIES 2016-03-03 US disclosed
US-20160060228-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUND ABBOTT LABORATORIES 2016-03-03 US disclosed
US-8415351-B2 Anti-infective agents and uses thereof ABBOTT LABORATORIES (US) 2013-04-09 US disclosed
EP-2411372-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUND Abbott Laboratories (US) 2012-02-01 EP disclosed
US-20110237793-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUND ABBOTT LABORATORIES (US) 2011-09-29 US disclosed
US-20110237793-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUND ABBOTT LABORATORIES (US) 2011-09-29 US disclosed
US-20110237793-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUND ABBOTT LABORATORIES (US) 2011-09-29 US disclosed
WO-2010111348-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUND 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 (2 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-20110237793-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUND ZC3HAV1, HAVCR2, MAVS CRBN 2332/4885CYP3A4 96/4885ALDH2 3150/4885
US-20160060228-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUND ZC3HAV1, HAVCR2, MAVS CRBN 2332/4885CYP3A4 96/4885ALDH2 3150/4885

“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.