SCHEMBL1310248

SCHEMBL1310248

CC(C)(Cc1cccc(C(=O)O)c1)NC[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 10/20 0.42
ADRB1 P08588 8/20 0.42
MRGPRX4 Q96LA9 5/20 0.39

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
SCHEMBL1310251 1.00 ADRB2 (0.42) ADRB2ADRB1MRGPRX4
SCHEMBL1310611 0.94 ADRB2 (0.39) ADRB2ADRB1MRGPRX4
SCHEMBL1310613 0.94 ADRB2 (0.39) ADRB2ADRB1MRGPRX4
SCHEMBL6255658 0.91 ADRB2 (0.40) ADRB2ADRB1
SCHEMBL6255656 0.91 ADRB2 (0.40) ADRB2ADRB1
SCHEMBL2142394 0.91 ADRB2 (0.42) ADRB2ADRB1
SCHEMBL2142402 0.91 ADRB2 (0.42) ADRB2ADRB1
SCHEMBL28435966 0.83 POLB (0.39) ADRB2ADRB1
SCHEMBL17985832 0.83 POLB (0.39) ADRB2ADRB1
SCHEMBL2140532 0.82 ADRB2 (0.41) ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450490-B2 Bi-functional pyrazolopyridine compounds GILEAD SCIENCES, INC. (US) 2013-05-28 US disclosed
US-8450490-B2 Bi-functional pyrazolopyridine compounds GILEAD SCIENCES, INC. (US) 2013-05-28 US disclosed
EP-2569285-A1 BIFUNCTIONAL QUINOLINE DERIVATIVES Gilead Sciences, Inc. (US) 2013-03-20 EP disclosed
US-8394829-B2 Bi-functional quinoline analogs GILEAD SCIENCES, INC. (US) 2013-03-12 US disclosed
US-8394829-B2 Bi-functional quinoline analogs GILEAD SCIENCES, INC. (US) 2013-03-12 US disclosed
US-8394829-B2 Bi-functional quinoline analogs GILEAD SCIENCES, INC. (US) 2013-03-12 US disclosed
US-8367829-B2 Bi-functional pyrazolopyridine compounds GILEAD SCIENCES, INC. (US) 2013-02-05 US disclosed
US-8367829-B2 Bi-functional pyrazolopyridine compounds GILEAD SCIENCES, INC. (US) 2013-02-05 US disclosed
US-20130018050-A1 BI-FUNCTIONAL PYRAZOLOPYRIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-01-17 US disclosed
US-20130018050-A1 BI-FUNCTIONAL PYRAZOLOPYRIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-01-17 US disclosed
US-20130012504-A1 BI-FUNCTIONAL QUINOLINE ANALOGS GILEAD SCIENCES, INC (US) 2013-01-10 US disclosed
US-20130012504-A1 BI-FUNCTIONAL QUINOLINE ANALOGS GILEAD SCIENCES, INC (US) 2013-01-10 US disclosed
US-20130012504-A1 BI-FUNCTIONAL QUINOLINE ANALOGS GILEAD SCIENCES, INC (US) 2013-01-10 US disclosed
WO-2011143105-A1 BIFUNCTIONAL QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. (US) 2011-11-17 WO disclosed
WO-2011143106-A1 BI - FUNCTIONAL PYRAZOLOPYRIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-11-17 WO disclosed
US-20110275623-A1 BI-FUNCTIONAL PYRAZOLOPYRIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-11-10 US disclosed
US-20110275622-A1 BI-FUNCTIONAL QUINOLINE ANALOGS GILEAD SCIENCES, INC. (US) 2011-11-10 US disclosed
US-20110275622-A1 BI-FUNCTIONAL QUINOLINE ANALOGS GILEAD SCIENCES, INC. (US) 2011-11-10 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-20110275622-A1 BI-FUNCTIONAL QUINOLINE ANALOGS BDKRB2, BDKRB1, MRGPRX2 ADRB2 16/4885ADRB1 15/4885MRGPRX4 11/4885
US-20130012504-A1 BI-FUNCTIONAL QUINOLINE ANALOGS BDKRB2, BDKRB1, HRH2 ADRB2 13/4885ADRB1 12/4885MRGPRX4 15/4885
US-20130018050-A1 BI-FUNCTIONAL PYRAZOLOPYRIDINE COMPOUNDS BDKRB2, BDKRB1, P2RX7 ADRB2 40/4885ADRB1 44/4885MRGPRX4 17/4885
US-20110275623-A1 BI-FUNCTIONAL PYRAZOLOPYRIDINE COMPOUNDS BDKRB2, BDKRB1, P2RX7 ADRB2 40/4885ADRB1 44/4885MRGPRX4 17/4885

“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.