SCHEMBL3206845

SCHEMBL3206845

O=C(O)C(Br)C(=O)OC(Cc1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
SRR Q9GZT4 2/20 0.44
EPHX1 P07099 1/20 0.44
ALPI P09923 1/20 0.43
PKM P14618 1/20 0.43
PTGS1 P23219 1/20 0.43
XIAP P98170 1/20 0.43
SLC7A5 Q01650 1/20 0.43
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
CHRM1 P11229 1/20 0.41
CYP2D6 P10635 1/20 0.41
CPA1 P15085 3/20 0.41
CPA3 P15088 2/20 0.41
FOLH1 Q04609 1/20 0.41
CPB1 P15086 1/20 0.41
CPB2 Q96IY4 1/20 0.41
ACE P12821 1/20 0.41
ACP3 P15309 1/20 0.40
SLC1A3 P43003 1/20 0.40

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
SCHEMBL11845837 0.79 EPHX1 (0.52) CYP1A2SRREPHX1ALPIPKM
SCHEMBL27726511 0.79 EPHX1 (0.52) CYP1A2SRREPHX1ALPIPKM
SCHEMBL9067637 0.79 EPHX1 (0.52) CYP1A2SRREPHX1ALPIPKM
Hydrochloric Acid SCHEMBL11845834 0.78 EPHX1 (0.50) CYP1A2SRREPHX1ALPIPKM
SCHEMBL11704440 0.77 CTSB (0.46) CYP1A2ACE
SCHEMBL29740764 0.76 PABPC1 (0.54) CYP1A2SRREPHX1ALPIPKM
SCHEMBL29740763 0.76 PABPC1 (0.54) CYP1A2SRREPHX1ALPIPKM
SCHEMBL7655431 0.76 EPHX1 (0.58) CYP1A2SRREPHX1ALPIPKM
SCHEMBL8906288 0.76 NPSR1 (0.53) CYP1A2SRREPHX1ALPIPKM
SCHEMBL1484444 0.76 CPA1 (0.46) CYP1A2SRREPHX1ALPIPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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

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-20090318492-A1 INDOLE COMPOUNDS HAVING C4-ACIDIC SUBSTITUENTS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS PLA2G4A, PLA2G1B, PLA2G4B CYP1A2 863/4885SRR 1050/4885EPHX1 731/4885
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 CYP1A2 443/4885SRR 800/4885EPHX1 986/4885
US-20070135383-A1 Phospholipase inhibitors, including multi-valent phospholipase inhibitors, and use thereof, including as lumen-localized phospholipase inhibitors PNLIP, PLA2G2E, PLA2G3 CYP1A2 1179/4885SRR 1646/4885EPHX1 634/4885

“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.