SCHEMBL10222000

SCHEMBL10222000

COC(=O)[C@@]12C[C@H]1/C=C\CCCCC[C@H](NC(=O)OC1CC3CC3C1)C(=O)N1C[C@@H](OS(=O)(=O)c3ccc(Br)cc3)C[C@H]1C(=O)N2

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.44
▸ ADRA2B P18089 1/20 0.44
▸ ADRA2C P18825 1/20 0.44
▸ CYP3A4 P08684 2/20 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
SCHEMBL10221923 1.00 ADRB3 (0.44) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL10222016 1.00 ADRB3 (0.44) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL13051895 0.96 ADRB3 (0.47) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL13509446 0.96 ADRB3 (0.47) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL13248788 0.96 ADRB3 (0.47) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL13509408 0.96 ADRB3 (0.47) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL13509392 0.96 ADRB3 (0.47) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL12630409 0.91 ADRB3 (0.42) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL10052373 0.91 ADRB3 (0.42) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL6877501 0.91 ADRB3 (0.42) ADRB3ADRA2BADRA2CCYP3A4

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-20150080569-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-03-19 — — US disclosed
US-8809266-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-08-19 — — US disclosed
US-20130274439-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2013-10-17 — — US disclosed
US-8420597-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-04-16 — — US disclosed
US-20130053577-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-02-28 — — US disclosed
US-8178491-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-05-15 — — US disclosed
US-20090257978-A1 Antiviral coumpounds GILEAD SCIENCES, INC. (US) 2009-10-15 — — 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 (4 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-20130274439-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ADRB3 4323/4885ADRA2B 4738/4885ADRA2C 4546/4885
US-20090257978-A1 Antiviral coumpounds MAVS, ZC3HAV1, EIF2AK2 ADRB3 3957/4885ADRA2B 4633/4885ADRA2C 4369/4885
US-20130053577-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ADRB3 4323/4885ADRA2B 4738/4885ADRA2C 4546/4885
US-20150080569-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ADRB3 4323/4885ADRA2B 4738/4885ADRA2C 4546/4885

“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.

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