SCHEMBL3196786

SCHEMBL3196786

CCc1ccc(C=CC(=O)OC)n1Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.39
MAPT P10636 2/20 0.39
THRB P10828 2/20 0.39
AR P10275 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
MAP3K7 O43318 1/20 0.37
TAB1 Q15750 1/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK8 P45983 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37

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
SCHEMBL3196779 1.00 ADORA3 (0.39) ADORA3MAPTTHRBARALDH1A1
SCHEMBL3203881 0.87 SMN1; SMN2 (0.44) ALDH1A1TSHRSMN1; SMN2LMNAKMT2A
SCHEMBL3203874 0.87 SMN1; SMN2 (0.44) ALDH1A1TSHRSMN1; SMN2LMNAKMT2A
SCHEMBL13484983 0.84 ALDH1A1 (0.42) MAPTALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL3196153 0.84 ALDH1A1 (0.43) ADORA3MAPTTHRBARALDH1A1
SCHEMBL3196147 0.84 ALDH1A1 (0.43) ADORA3MAPTTHRBARALDH1A1
SCHEMBL3199332 0.83 PLA2G2A (0.41) KMT2A
SCHEMBL14496818 0.80 TSHR (0.40) MAPTTHRBALDH1A1TSHRSMN1; SMN2
SCHEMBL13698684 0.76 POLB (0.35) ALDH1A1TSHRSMN1; SMN2LMNAKDM4E
SCHEMBL3207312 0.76 LMNA (0.51) MAPTALDH1A1TSHRSMN1; SMN2LMNA

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 9 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-20090239896-A1 AZAINDOLE COMPOUNDS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS ILYPSA, INC. 2009-09-24 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-1948656-A2 AZAINDOLE COMPOUNDS 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
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-2007056184-A2 AZAINDOLE COMPOUNDS AND USE THEREOF AS PHOSPHOLIPASE-A2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-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 ADORA3 857/4885MAPT 3875/4885THRB 982/4885
US-20090239896-A1 AZAINDOLE COMPOUNDS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS PLA2G5, PLA2G4A, PLA2G3 ADORA3 104/4885MAPT 4879/4885THRB 2618/4885

“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.