SCHEMBL3369231

SCHEMBL3369231

COC(=O)C12CC1C=CCCCCCC(NC(=O)OC(C)(C)C)C(=O)N1CC(OC(=O)N3Cc4cccc(F)c4C3)CC1C(=O)N2

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ CYP3A4 P08684 2/20 0.36
▸ DDB1 Q16531 1/20 0.34
▸ CRBN Q96SW2 1/20 0.34
▸ RAMP1 O60894 3/20 0.31
▸ CALCRL Q16602 3/20 0.31
▸ PDE4B Q07343 2/20 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
SCHEMBL12379878 1.00 ADRB3 (0.41) ADRB3ADRA2BADRA2CCYP3A4DDB1
SCHEMBL3369227 1.00 ADRB3 (0.41) ADRB3ADRA2BADRA2CCYP3A4DDB1
SCHEMBL8160007 1.00 ADRB3 (0.41) ADRB3ADRA2BADRA2CCYP3A4DDB1
SCHEMBL498005 0.95 ADRB3 (0.44) ADRB3ADRA2BADRA2CCYP3A4DDB1
SCHEMBL17970111 0.95 ADRB3 (0.44) ADRB3ADRA2BADRA2CCYP3A4DDB1
SCHEMBL498004 0.95 ADRB3 (0.44) ADRB3ADRA2BADRA2CCYP3A4DDB1
SCHEMBL8161544 0.95 ADRB3 (0.44) ADRB3ADRA2BADRA2CCYP3A4DDB1
SCHEMBL3970772 0.95 ADRB3 (0.44) ADRB3ADRA2BADRA2CCYP3A4DDB1
SCHEMBL13610303 0.95 ADRB3 (0.44) ADRB3ADRA2BADRA2CCYP3A4DDB1
SCHEMBL7880266 0.95 ADRB3 (0.44) ADRB3ADRA2BADRA2CCYP3A4DDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809267-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-08-19 — — US disclosed
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 — — US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 — — US disclosed
EP-2162432-A2 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2010-03-17 — — EP disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 — — US disclosed
WO-2009005677-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 — — 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-20090186869-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 ADRB3 4323/4885ADRA2B 4738/4885ADRA2C 4546/4885
US-20140051626-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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