SCHEMBL3208305

SCHEMBL3208305

COC(=O)C(C)(Br)CCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 1/20 0.42
TSHR P16473 3/20 0.40
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 3/20 0.39
ESR1 P03372 1/20 0.39
CYP3A4 P08684 1/20 0.39
ESR2 Q92731 1/20 0.39
KCNN4 O15554 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 1/20 0.35
DGAT1 O75907 1/20 0.34
CHEK1 O14757 1/20 0.33
FYN P06241 1/20 0.33
PDGFRB P09619 1/20 0.33
PIM1 P11309 1/20 0.33
FGFR1 P11362 1/20 0.33

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
SCHEMBL7850927 0.83 TSHR (0.48) TSHRHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL6755569 0.82 DGAT1 (0.39) TSHRALDH1A1KCNN4THRBKMT2A
SCHEMBL161711 0.78 NAALAD2 (0.45) NAALAD2TSHRCYP2C9HIF1AHSD17B10
SCHEMBL29184392 0.78 ELANE (0.37) TSHRHSD17B10ALDH1A1CYP3A4KCNN4
SCHEMBL25325252 0.78 HMGCR (0.42) TSHRHIF1AALDH1A1KCNN4KMT2A
Hydrochloric Acid SCHEMBL9429165 0.77 NAALAD2 (0.44) NAALAD2TSHRCYP2C9HIF1AHSD17B10
SCHEMBL7964223 0.77 NAALAD2 (0.44) NAALAD2TSHRCYP2C9HIF1AHSD17B10
SCHEMBL3502125 0.75
SCHEMBL9620420 0.73 TSHR (0.47) TSHRHSD17B10ALDH1A1ESR1MEN1
SCHEMBL1246632 0.73 LCK (0.47) TSHRALDH1A1KCNN4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885817-B1 RESPONSIVE LUMINESCENT LANTHANIDE COMPLEXES UNIV DURHAM (GB) 2016-05-11 EP disclosed
US-8193174-B2 Responsive luminescent lanthanide complexes UNIVERSITY OF DURHAM (GB) 2012-06-05 US disclosed
US-7666898-B2 Multivalent indole compounds and use thereof as phospholipase-A2 inhibitors ILYPSA, INC. (US) 2010-02-23 US disclosed
US-20090318492-A1 INDOLE COMPOUNDS HAVING C4-ACIDIC SUBSTITUENTS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS ILYPSA, INC. 2009-12-24 US disclosed
US-20080312431-A1 Responsive Luminescent Lanthanide Complexes UNIVERSITY OF DURHAM (GB) 2008-12-18 US disclosed
EP-1960356-A2 MULTIVALENT INDOLE COMPOUNDS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS Ilypsa, Inc. (US) 2008-08-27 EP disclosed
EP-1951315-A2 PHOSPHOLIPASE INHIBITORS, INCLUDING MULTI-VALENT PHOSPHOLIPASE INHIBITORS, AND USE THEREOF, INCLUDING AS LUMEN-LOCALIZED PHOSPHOLIPASE INHIBITORS Ilypsa, Inc. (US) 2008-08-06 EP disclosed
EP-1948604-A1 INDOLE COMPOUNDS HAVING C4-ACIDIC SUBSTITUENTS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS Ilypsa, Inc. (US) 2008-07-30 EP disclosed
EP-1885817-A1 RESPONSIVE LUMINESCENT LANTHANIDE COMPLEXES UNIVERSITY OF DURHAM (GB) 2008-02-13 EP disclosed
US-20070135385-A1 Methyl indoxam; obesity; dietectics; antidiabetic agents; insulin resistance; non-insulin dependent diabetes; glucose intolerance; hypercholesterolemia; hypertriglyceridemia; anticholesterol agents; metabolic disorders; foods;bioavailability; side effect reduction ILYPSA, INC. 2007-06-14 US disclosed
US-20070135383-A1 Phospholipase inhibitors, including multi-valent phospholipase inhibitors, and use thereof, including as lumen-localized phospholipase inhibitors ILYPSA, INC. 2007-06-14 US disclosed
WO-2007056279-A2 PHOSPHOLIPASE INHIBITORS, INCLUDING MULTI-VALENT PHOSPHOLIPASE INHIBITORS, AND USE THEREOF, INCLUDING AS LUMEN-LOCALIZED PHOSPHOLIPASE INHIBITORS ILYPSA, INC. (US) 2007-05-18 WO disclosed
WO-2007056281-A2 MULTIVALENT INDOLE COMPOUNDS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS ILYPSA, INC. (US) 2007-05-18 WO disclosed
WO-2007056280-A1 INDOLE COMPOUNDS HAVING C4-ACIDIC SUBSTITUENTS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS ILYPSA, INC. (US) 2007-05-18 WO disclosed
WO-2006120444-A1 RESPONSIVE LUMINESCENT LANTHANIDE COMPLEXES UNIVERSITY OF DURHAM (GB) 2006-11-16 WO disclosed
EP-0480745-A2 Substituted dihydrothieno-thiophene-2-sulfonamides and dioxides thereof MERCK & CO. INC. (US) 1992-04-15 EP 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-20090318492-A1 INDOLE COMPOUNDS HAVING C4-ACIDIC SUBSTITUENTS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS PLA2G4A, PLA2G1B, PLA2G4B NAALAD2 218/4885TSHR 2153/4885CYP2C9 2424/4885
US-20070135385-A1 Methyl indoxam; obesity; dietectics; antidiabetic agents; insulin resistance; non-insulin dependent diabetes; glucose intolerance; hypercholesterolemia; hypertriglyceridemia; anticholesterol agents; metabolic disorders; foods;bioavailability; side effect reduction GPR119, INMT, PNLIP NAALAD2 1131/4885TSHR 2179/4885CYP2C9 407/4885
US-20080312431-A1 Responsive Luminescent Lanthanide Complexes TPR, NLRP1, NISCH NAALAD2 2193/4885TSHR 552/4885CYP2C9 3002/4885
US-20070135383-A1 Phospholipase inhibitors, including multi-valent phospholipase inhibitors, and use thereof, including as lumen-localized phospholipase inhibitors PNLIP, PLA2G2E, PLA2G3 NAALAD2 123/4885TSHR 3511/4885CYP2C9 2036/4885

“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.