SCHEMBL12708985

SCHEMBL12708985

COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(P(=O)(O)Cc6c(F)cccc6F)C[C@H]5CCCCCCC[C@H](NC(=O)CC5CCCC5)C(=O)N4C3)cc(-c3csc(NC(C)C)n3)nc2c1Cl

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.49
▸ ADRA2B P18089 1/20 0.49
▸ ADRA2C P18825 1/20 0.49
▸ ABCC1 P33527 1/20 0.37
▸ ABCC2 Q92887 1/20 0.37
▸ ABCG2 Q9UNQ0 1/20 0.37
▸ CTSB P07858 1/20 0.35
▸ PPP3CB P16298 1/20 0.35
▸ CTSS P25774 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
SCHEMBL12708978 0.95 ADRB3 (0.50) ADRB3ADRA2BADRA2CABCC1ABCC2
SCHEMBL12708980 0.94 ADRB3 (0.49) ADRB3ADRA2BADRA2CABCC1ABCC2
Gs-9256 SCHEMBL9987287 0.94 ADRB3 (0.57) ADRB3ADRA2BADRA2CABCC1ABCC2
Gs-9256 SCHEMBL15444521 0.94 ADRB3 (0.57) ADRB3ADRA2BADRA2CABCC1ABCC2
Gs-9256 SCHEMBL15258587 0.94 ADRB3 (0.57) ADRB3ADRA2BADRA2CABCC1ABCC2
Gs-9256 SCHEMBL19151837 0.94 ADRB3 (0.57) ADRB3ADRA2BADRA2CABCC1ABCC2
SCHEMBL22484285 0.94 ADRB3 (0.57) ADRB3ADRA2BADRA2CABCC1ABCC2
Gs-9256 SCHEMBL22730519 0.94 ADRB3 (0.57) ADRB3ADRA2BADRA2CABCC1ABCC2
SCHEMBL12736797 0.93 ADRB3 (0.56) ADRB3ADRA2BADRA2CABCC1ABCC2
SCHEMBL12708982 0.93 ADRB3 (0.48) ADRB3ADRA2BADRA2CABCC1ABCC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8674088-B2 Antiviral phosphinate compounds GILEAD SCIENCES, INC. (US) 2014-03-18 — — US disclosed
US-8586744-B2 Antiviral phosphinate compounds GILEAD SCIENCES, INC. (US) 2013-11-19 — — US disclosed
US-20110082112-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-04-07 — — US disclosed
US-20110081314-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-04-07 — — US disclosed
US-20110082112-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-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
US-20080057031-A1 Antiviral phosphinate compounds GILEAD SCIENCES, INC. (US) 2008-03-06 — — 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-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
US-20110082112-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS HAVCR2, PHOSPHO1, EIF2AK2 ADRB3 4285/4885ADRA2B 4677/4885ADRA2C 4020/4885

“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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