SCHEMBL8137209

SCHEMBL8137209

CC(C)(C)OC(=O)N[C@H]1CCCCCCC[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)OC2CC2)NC(=O)[C@@H]2C[C@@H](Oc3nccc4ccccc34)CN2C1=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.43
▸ ADRB3 P13945 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ CASP1 P29466 4/20 0.33
▸ CASP8 Q14790 3/20 0.33
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ SSTR1 P30872 1/20 0.30
▸ SSTR4 P31391 1/20 0.30
▸ HRH3 Q9Y5N1 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
SCHEMBL6381662 0.93 CYP3A4 (0.43) CYP3A4ADRB3ADRA2BADRA2CCASP1
SCHEMBL8139861 0.91 CYP3A4 (0.46) CYP3A4ADRB3ADRA2BADRA2C
SCHEMBL13757833 0.90 CYP3A4 (0.40) CYP3A4ADRB3ADRA2BADRA2CCASP1
SCHEMBL13924196 0.90 CYP3A4 (0.46) CYP3A4ADRB3ADRA2BADRA2CCASP1
SCHEMBL14618045 0.89 CYP3A4 (0.42) CYP3A4ADRB3ADRA2BADRA2CCASP1
SCHEMBL14617935 0.88 CYP3A4 (0.41) CYP3A4ADRB3ADRA2BADRA2CCASP1
SCHEMBL14618007 0.88 CYP3A4 (0.41) CYP3A4ADRB3ADRA2BADRA2CCASP1
SCHEMBL14617928 0.87 CYP3A4 (0.42) CYP3A4ADRB3ADRA2BADRA2CSSTR4
SCHEMBL14617979 0.87 CYP3A4 (0.41) CYP3A4ADRB3ADRA2BADRA2CCASP1
SCHEMBL14617971 0.87 CYP3A4 (0.41) CYP3A4ADRB3ADRA2BADRA2CCASP1

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-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
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 — — US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 — — US 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 CYP3A4 1770/4885ADRB3 4323/4885ADRA2B 4738/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP3A4 1770/4885ADRB3 4323/4885ADRA2B 4738/4885

“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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