SCHEMBL3893604

SCHEMBL3893604

O=C(O)c1ccc(Br)c(C(Br)Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 2/20 0.42
TP53 P04637 1/20 0.42
TTR P02766 2/20 0.42
KDM4E B2RXH2 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
PTGS2 P35354 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42

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
SCHEMBL15492061 0.84 TTR (0.47) PTPRCTDP1HPGDHTTTSHR
SCHEMBL17929738 0.83 TSHR (0.46) PTPRCTDP1HPGDTSHRTP53
SCHEMBL6700180 0.82 MAPT (0.35) TSHRMAPTCYP1A2ALDH1A1
SCHEMBL3203499 0.82 ACE2 (0.51) PTPRCTDP1HPGDHTTTSHR
SCHEMBL29625010 0.82 PTPRC (0.42) PTPRCTDP1HPGDHTTTSHR
SCHEMBL616934 0.81 ACE2 (0.42) PTPRCTDP1HPGDHTTTSHR
SCHEMBL8382167 0.80 ACE2 (0.49) PTPRCTDP1HPGDTSHRTP53
SCHEMBL5112106 0.78 NOTUM (0.51) TDP1HPGDHTTTSHRTP53
SCHEMBL2312050 0.77 HTT (0.41) PTPRCTDP1HPGDHTTTSHR
SCHEMBL588825 0.76 TTR (0.56) PTPRCTDP1HPGDHTTTSHR

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-10730892-B2 Homoallylamines as formaldehyde-responsive triggers THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-08-04 US disclosed
US-20180215773-A1 HOMOALLYLAMINES AS FORMALDEHYDE-RESPONSIVE TRIGGERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-08-02 US disclosed
WO-2017034927-A1 HOMOALLYLAMINES AS FORMALDEHYDE-RESPONSIVE TRIGGERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-03-02 WO disclosed
US-7572790-B2 Biphenyl carboxylic amide p38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-08-11 US disclosed
US-7572790-B2 Biphenyl carboxylic amide p38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-08-11 US disclosed
US-7572790-B2 Biphenyl carboxylic amide p38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-08-11 US disclosed
US-20080051416-A1 Novel Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-02-28 US disclosed
EP-1805132-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-07-11 EP disclosed
US-20070129354-A1 Biphenyl carboxylic amide p38 kinase inhibitors GLAXOSMITHKLINE LLC 2007-06-07 US disclosed
US-20070129354-A1 Biphenyl carboxylic amide p38 kinase inhibitors GLAXOSMITHKLINE LLC 2007-06-07 US disclosed
US-20070129354-A1 Biphenyl carboxylic amide p38 kinase inhibitors GLAXOSMITHKLINE LLC 2007-06-07 US disclosed
WO-2006110173-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-19 WO disclosed
EP-1608616-A1 BIPHENYL CARBOXYLIC AMIDE P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-12-28 EP disclosed
WO-2004089874-A1 BIPHENYL CARBOXYLIC AMIDE P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-10-21 WO disclosed
US-20040059123-A1 Such as N-(methoxymethyl)-N-(4,5-dimethyl-3-isoxazolyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) benzenesulfanamide; endothelin antagonists for treatment of hypertension; high melting POLNIASZEK RICHARD P (US) 2004-03-25 US disclosed
US-6639082-B2 Cycloboronate intermediates; endothelin antagonists useful, inter alia, for the treatment of hypertension. BRISTOL-MYERS SQUIBB COMPANY 2003-10-28 US disclosed
EP-1328523-A2 METHODS FOR THE PREPARATION OF BIPHENYL ISOXAZOLE SULFONAMIDES Bristol-Myers Squibb Company (US) 2003-07-23 EP disclosed
US-20020132838-A1 Methods for the preparation of biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB COMPANY 2002-09-19 US disclosed
WO-2002032884-A2 METHODS FOR THE PREPARATION OF BIPHENYL ISOXAZOLE SULFONAMIDES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-04-25 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 (6 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-20070129354-A1 Biphenyl carboxylic amide p38 kinase inhibitors MAPK1, MAPKAPK2, MAPK7 PTPRC 1815/4885TDP1 2707/4885HPGD 1788/4885
US-20180215773-A1 HOMOALLYLAMINES AS FORMALDEHYDE-RESPONSIVE TRIGGERS HCAR2, HCAR1, HTR2A PTPRC 2484/4885TDP1 1137/4885HPGD 148/4885
US-20020132838-A1 Methods for the preparation of biphenyl isoxazole sulfonamides REN, STS, CYP4X1 PTPRC 3486/4885TDP1 3705/4885HPGD 864/4885
US-10730892-B2 Homoallylamines as formaldehyde-responsive triggers HCAR2, MTHFD2, AHCY PTPRC 2882/4885TDP1 926/4885HPGD 152/4885
US-20080051416-A1 Novel Compounds MAPK1, MAPKAPK2, MAPK6 PTPRC 1772/4885TDP1 2674/4885HPGD 1587/4885
US-20040059123-A1 Such as N-(methoxymethyl)-N-(4,5-dimethyl-3-isoxazolyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) benzenesulfanamide; endothelin antagonists for treatment of hypertension; high melting EDNRA, EDNRB, ECE1 PTPRC 3721/4885TDP1 1946/4885HPGD 1830/4885

“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.