SCHEMBL3208309

SCHEMBL3208309

CC(CC(=O)O)C(C)(Br)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.35
CACNA2D1 P54289 2/20 0.33
ADRA1A P35348 2/20 0.33
CACNB3 P54284 1/20 0.33
CACNA1C Q13936 1/20 0.33
PGR P06401 1/20 0.33
HTR2B P41595 1/20 0.33
CACNA2D2 Q9NY47 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 2/20 0.33
PGD P52209 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL15220069 0.81 SLC22A6 (0.38) TSHRCYP2D6CYP2C19HIF1ASLC22A6
SCHEMBL10616009 0.79 TSHR (0.33) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL249850 0.76 TSHR (0.39) TSHRCYP2D6CYP2C19HIF1ASLC22A6
SCHEMBL8372729 0.76 TSHR (0.39) TSHRCYP2D6CYP2C19HIF1ASLC22A6
SCHEMBL23913764 0.75 SLC22A6 (0.41) TSHRCYP2D6CYP2C19HIF1ASLC22A6
SCHEMBL20711453 0.75 SLC22A6 (0.41) TSHRCYP2D6CYP2C19HIF1ASLC22A6
SCHEMBL1572820 0.75 SLC22A6 (0.41) TSHRCYP2D6CYP2C19HIF1ASLC22A6
SCHEMBL1300987 0.74 TSHR (0.39) TSHRCYP2D6CYP2C19HIF1ASLC22A6
Ammonia Solution, Strong SCHEMBL8858462 0.74 TDP1 (0.40) TSHRCYP2D6CYP2C19HIF1ASLC22A6
Ammonia Solution, Strong SCHEMBL8858461 0.74 TDP1 (0.40) TSHRCYP2D6CYP2C19HIF1ASLC22A6

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 TSHR 2153/4885CYP2D6 1552/4885CYP2C19 1737/4885
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 TSHR 2179/4885CYP2D6 245/4885CYP2C19 293/4885
US-20080312431-A1 Responsive Luminescent Lanthanide Complexes TPR, NLRP1, NISCH TSHR 552/4885CYP2D6 2111/4885CYP2C19 2081/4885
US-20070135383-A1 Phospholipase inhibitors, including multi-valent phospholipase inhibitors, and use thereof, including as lumen-localized phospholipase inhibitors PNLIP, PLA2G2E, PLA2G3 TSHR 3511/4885CYP2D6 2428/4885CYP2C19 1362/4885

“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.