SCHEMBL3048417

SCHEMBL3048417

COc1ccc(C(=O)CBr)c(O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.66
RAB9A P51151 6/20 0.66
HPGD P15428 5/20 0.64
CYP3A4 P08684 4/20 0.64
ALDH1A1 P00352 3/20 0.64
MAPK1 P28482 3/20 0.64
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
MAPT P10636 2/20 0.60
SMN1; SMN2 Q16637 3/20 0.59
ATM Q13315 1/20 0.59
LMNA P02545 4/20 0.57
CYP2C19 P33261 3/20 0.57
CYP1A2 P05177 2/20 0.57
PGR P06401 2/20 0.57
SLC6A2 P23975 2/20 0.57
ADORA3 P0DMS8 1/20 0.57
AR P10275 1/20 0.57
CHRM1 P11229 1/20 0.57
ALOX15 P16050 1/20 0.57

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
SCHEMBL30263100 1.00 NPC1 (0.66) NPC1RAB9AHPGDCYP3A4ALDH1A1
SCHEMBL8868741 0.86 NPC1 (0.61) NPC1RAB9AHPGDCYP3A4ALDH1A1
SCHEMBL31456251 0.86 NPC1 (0.61) NPC1RAB9AHPGDCYP3A4ALDH1A1
SCHEMBL5477586 0.86 NPC1 (0.70) NPC1RAB9AHPGDCYP3A4ALDH1A1
SCHEMBL3709147 0.84 NPC1 (0.68) NPC1RAB9AHPGDCYP3A4ALDH1A1
SCHEMBL5051445 0.84 GSK3B (0.58) NPC1RAB9AHPGDCYP3A4ALDH1A1
SCHEMBL2260356 0.84 NPC1 (0.68) NPC1RAB9AHPGDCYP3A4ALDH1A1
SCHEMBL38652178 0.84 NPC1 (0.68) NPC1RAB9AHPGDCYP3A4ALDH1A1
SCHEMBL9114685 0.83 NPC1 (0.57) NPC1RAB9AHPGDCYP3A4ALDH1A1
SCHEMBL5624874 0.83 RAB9A (0.66) NPC1RAB9AHPGDCYP3A4ALDH1A1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3348557-A1 COMPOUND FOR TREATING OR PREVENTING HYPERURICEMIA OR GOUT Jiangsu Atom Bioscience And Pharmaceutical Co., Ltd (CN) 2018-07-18 EP disclosed
US-8765796-B2 Compounds, methods and formulations for the oral delivery of a glucagon-like peptide (GLP-1) compound or a melanocortin-4 receptor (MC4) agonist peptide EMISPHERE TECHNOLOGIES, INC. (US) 2014-07-01 US disclosed
US-8765796-B2 Compounds, methods and formulations for the oral delivery of a glucagon-like peptide (GLP-1) compound or a melanocortin-4 receptor (MC4) agonist peptide EMISPHERE TECHNOLOGIES, INC. (US) 2014-07-01 US disclosed
US-8765796-B2 Compounds, methods and formulations for the oral delivery of a glucagon-like peptide (GLP-1) compound or a melanocortin-4 receptor (MC4) agonist peptide EMISPHERE TECHNOLOGIES, INC. (US) 2014-07-01 US disclosed
US-20140031287-A1 COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON-LIKE PEPTIDE (GLP-1) COMPOUND OR A MELANOCORTIN-4 RECEPTOR (MIC4) AGONIST PEPTIDE EMISPHERE TECHNOLOGIES, INC. (US) 2014-01-30 US disclosed
US-20140031287-A1 COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON-LIKE PEPTIDE (GLP-1) COMPOUND OR A MELANOCORTIN-4 RECEPTOR (MIC4) AGONIST PEPTIDE EMISPHERE TECHNOLOGIES, INC. (US) 2014-01-30 US disclosed
US-20140031287-A1 COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON-LIKE PEPTIDE (GLP-1) COMPOUND OR A MELANOCORTIN-4 RECEPTOR (MIC4) AGONIST PEPTIDE EMISPHERE TECHNOLOGIES, INC. (US) 2014-01-30 US disclosed
US-8552039-B2 Compounds, methods and formulations for the oral delivery of a glucagon-like peptide (GLP-1) compound or a melanocortin-4 receptor (MC4) agonist peptide EMISPHERE TECHNOLOGIES, INC. (US) 2013-10-08 US disclosed
US-8552039-B2 Compounds, methods and formulations for the oral delivery of a glucagon-like peptide (GLP-1) compound or a melanocortin-4 receptor (MC4) agonist peptide EMISPHERE TECHNOLOGIES, INC. (US) 2013-10-08 US disclosed
US-8552039-B2 Compounds, methods and formulations for the oral delivery of a glucagon-like peptide (GLP-1) compound or a melanocortin-4 receptor (MC4) agonist peptide EMISPHERE TECHNOLOGIES, INC. (US) 2013-10-08 US disclosed
US-20080214448-A1 Compounds, Methods and Formulations for the Oral Delivery of a Glucagon-Like Peptide (Glp)-1 Compound or a Melanocortin-4 Receptor (Mc4) Agonist Peptide EMISPHERE TECHNOLOGIES INC. (US) 2008-09-04 US disclosed
US-20080214448-A1 Compounds, Methods and Formulations for the Oral Delivery of a Glucagon-Like Peptide (Glp)-1 Compound or a Melanocortin-4 Receptor (Mc4) Agonist Peptide EMISPHERE TECHNOLOGIES INC. (US) 2008-09-04 US disclosed
EP-1658273-B1 COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON LIKE PEPTIDE (GLP)-1 COMPOUND OR AN MELANOCORTIN 4 RECEPTOR (MC4) AGONIST PEPTIDE LILLY CO ELI (US) 2007-01-03 EP disclosed
EP-1658273-B1 COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON LIKE PEPTIDE (GLP)-1 COMPOUND OR AN MELANOCORTIN 4 RECEPTOR (MC4) AGONIST PEPTIDE LILLY CO ELI (US) 2007-01-03 EP disclosed
EP-1658273-A1 COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON LIKE PEPTIDE (GLP)-1 COMPOUND OR AN MELANOCORTIN 4 RECEPTOR (MC4) AGONIST PEPTIDE ELI LILLY AND COMPANY (US) 2006-05-24 EP disclosed
WO-2005019184-A1 COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON LIKE PEPTIDE (GLP)-1 COMPOUND OR AN MELANOCORTIN 4 RECEPTOR (MC4) AGONIST PEPTIDE ELI LILLY AND COMPANY (US) 2005-03-03 WO disclosed
US-6593374-B2 Such as 3-(3'4'5'-trimethoxybenzoyl)-2-(3'benzylphosphate 4'methoxyphenyl)-6-methoxybenzo(b)thiophene; functionalized to prepare phosphate esters, phosphate salts, and phosphoramidates useful as antitumor agents BAYLOR UNIVERSITY 2003-07-15 US disclosed
EP-1263763-A2 TUBULIN BINDING LIGANDS AND CORRESPONDING PRODRUG CONSTRUCTS BAYLOR UNIVERSITY (US) 2002-12-11 EP disclosed
US-20020055643-A1 Tubulin binding ligands and corresponding prodrug constructs MATEON THERAPEUTICS, INC. 2002-05-09 US disclosed
WO-2001068654-A2 TUBULIN BINDING LIGANDS AND CORRESPONDING PRODRUG CONSTRUCTS BAYLOR UNIVERSITY (US) 2001-09-20 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-20020055643-A1 Tubulin binding ligands and corresponding prodrug constructs TUBB, TUBB3, TUBB4A NPC1 3643/4885RAB9A 2195/4885HPGD 4276/4885
US-20080214448-A1 Compounds, Methods and Formulations for the Oral Delivery of a Glucagon-Like Peptide (Glp)-1 Compound or a Melanocortin-4 Receptor (Mc4) Agonist Peptide MC4R, GLP1R, MC3R NPC1 1211/4885RAB9A 1969/4885HPGD 4158/4885
US-20140031287-A1 COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON-LIKE PEPTIDE (GLP-1) COMPOUND OR A MELANOCORTIN-4 RECEPTOR (MIC4) AGONIST PEPTIDE MC4R, GLP1R, MC3R NPC1 936/4885RAB9A 1393/4885HPGD 4365/4885

“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.