SCHEMBL1311067

SCHEMBL1311067

OCc1cc(C(O)CBr)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 17/20 0.59
ADRB1 P08588 3/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
TSHR P16473 1/20 0.58
NFKB1 P19838 1/20 0.58
HIF1A Q16665 1/20 0.58
TDP1 Q9NUW8 1/20 0.56
PMP22 Q01453 1/20 0.51

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
SCHEMBL1311066 1.00 ADRB2 (0.59) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL2852257 0.81 ADRB2 (0.67) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL14291852 0.81 ADRB2 (0.62) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL19236388 0.81 ADRB2 (0.62) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL7152531 0.81 ADRB2 (0.67) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL6462710 0.81 ADRB2 (0.59) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL1145899 0.78 ADRB2 (0.54) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL10232110 0.77 ADRB2 (0.70) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL8280495 0.77 ADRB2 (0.70) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL22607349 0.77 ADRB2 (0.68) ADRB2ADRB1CYP1A2CYP2D6TSHR

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 19 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
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-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-20130012504-A1 BI-FUNCTIONAL QUINOLINE ANALOGS GILEAD SCIENCES, INC (US) 2013-01-10 US disclosed
WO-2011143106-A1 BI - FUNCTIONAL PYRAZOLOPYRIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-11-17 WO disclosed
WO-2011143105-A1 BIFUNCTIONAL QUINOLINE DERIVATIVES 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-7629358-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2009-12-08 US disclosed
US-7629358-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2009-12-08 US disclosed
EP-1624868-B9 \"(2-HYDROXY-2-(4-HYDROXY-3-HYDOXYMETHYLPHENYL)-ETHYLAMINO)- PROPYL]PHENYL DERIVATIVES AS BETA2 AGONISTS PFIZER LTD (GB) 2009-08-12 EP disclosed
EP-1624868-B1 \"(2-HYDROXY-2-(4-HYDROXY-3-HYDOXYMETHYLPHENYL)-ETHYLAMINO)- PROPYL]PHENYL DERIVATIVES AS BETA2 AGONISTS PFIZER LTD (GB) 2008-11-12 EP disclosed
EP-1556034-B1 INDOLE DERIVATIVES AS BETA-2 AGONISTS PFIZER LTD (GB) 2008-04-16 EP disclosed
US-7268147-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2007-09-11 US disclosed
US-7268147-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2007-09-11 US disclosed
US-7183294-B2 Indole derivatives useful for the treatment of diseases PFIZER INC. (US) 2007-02-27 US disclosed
US-7183294-B2 Indole derivatives useful for the treatment of diseases PFIZER INC. (US) 2007-02-27 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 15/4885CYP1A2 80/4885
US-20130012504-A1 BI-FUNCTIONAL QUINOLINE ANALOGS BDKRB2, BDKRB1, HRH2 ADRB2 13/4885ADRB1 12/4885CYP1A2 59/4885
US-20130018050-A1 BI-FUNCTIONAL PYRAZOLOPYRIDINE COMPOUNDS BDKRB2, BDKRB1, P2RX7 ADRB2 40/4885ADRB1 44/4885CYP1A2 85/4885
US-20110275623-A1 BI-FUNCTIONAL PYRAZOLOPYRIDINE COMPOUNDS BDKRB2, BDKRB1, P2RX7 ADRB2 40/4885ADRB1 44/4885CYP1A2 85/4885

“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.