SCHEMBL12735499

SCHEMBL12735499

CCOc1cc(OC2C[C@H]3C(=O)N[C@]4(P(=O)(O)Cc5c(F)cccc5F)C[C@H]4CCCCCCC[C@H](NC(=O)OC4CCCC4)C(=O)N3C2)c2cccc(C)c2n1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ CYP3A4 P08684 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
SCHEMBL12735498 0.94 ADRB3 (0.41) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL12864518 0.94 ADRB3 (0.41) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL12732626 0.94 ADRB3 (0.42) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL12736425 0.93 ADRB3 (0.50) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL12736432 0.92 ADRB3 (0.45) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL12864500 0.91 ADRB3 (0.45) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL12736421 0.90 ADRB3 (0.43) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL13248842 0.87 ADRB3 (0.50) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL8282256 0.87 ADRB3 (0.50) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL12732604 0.82 ADRB3 (0.49) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110081314-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-04-07 — — US disclosed
US-7893264-B2 viricides comprising phosphinic acid compounds and/or mixed with carriers, nucleoside analogues, interferons or pegylated interferons; treating hepatitis C or a hepatitis C associated disorders in animals; side effect reduction GILEAD SCIENCES, INC. (US) 2011-02-22 — — US disclosed
US-20090227491-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-09-10 — — US disclosed
US-20090227491-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-09-10 — — US disclosed
US-20080057031-A1 Antiviral phosphinate compounds GILEAD SCIENCES, INC. (US) 2008-03-06 — — US disclosed
WO-2008005565-A2 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2008-01-10 — — 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 (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-20080057031-A1 Antiviral phosphinate compounds PHOSPHO1, MAVS, ITPA ADRB3 4829/4885ADRA2B 4870/4885ADRA2C 4830/4885
US-20090227491-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS PHOSPHO1, MAVS, ITPA ADRB3 4829/4885ADRA2B 4870/4885ADRA2C 4830/4885
US-20110081314-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS PHOSPHO1, MAVS, ITPA ADRB3 4829/4885ADRA2B 4870/4885ADRA2C 4830/4885

“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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