SCHEMBL2806957

SCHEMBL2806957

ClCc1cccc(-c2ccc(OCc3ccccc3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 2/20 0.56
FFAR1 O14842 5/20 0.56
AKR1B1 P15121 1/20 0.56
FFAR4 Q5NUL3 1/20 0.56
MCL1 Q07820 1/20 0.54
PTGER4 P35408 1/20 0.52
PTGER3 P43115 1/20 0.52
MAOB P27338 2/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
PTGS1 P23219 1/20 0.51
SLC6A2 P23975 1/20 0.51
CYP2C19 P33261 1/20 0.51
PTGS2 P35354 1/20 0.51
SLC6A3 Q01959 1/20 0.51
HIF1A Q16665 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
NR4A2 P43354 1/20 0.51
PPARG P37231 1/20 0.50
PPARD Q03181 1/20 0.50

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
SCHEMBL16346074 0.85 GSTP1 (0.66) GSTP1FFAR1AKR1B1FFAR4MCL1
SCHEMBL23483029 0.84 LMNA (0.69) GSTP1FFAR1MCL1MAOBLMNA
SCHEMBL1096817 0.84 LMNA (0.69) GSTP1FFAR1MCL1MAOBLMNA
SCHEMBL197017 0.82 LMNA (0.72) GSTP1FFAR1MCL1MAOBLMNA
SCHEMBL1745429 0.82 AGXT (0.55) MAOAAGXT
SCHEMBL18625351 0.82 LMNA (0.73) GSTP1FFAR1AKR1B1FFAR4MCL1
SCHEMBL1680838 0.81 BCHE (0.64) FFAR1MAOBNR4A2GAAMAPT
SCHEMBL30262573 0.81 BCHE (0.64) FFAR1MAOBNR4A2GAAMAPT
SCHEMBL703 0.81 LMNA (0.64) FFAR1FFAR4MAOBLMNACYP1A2
SCHEMBL21408110 0.81 NR4A2 (0.66) GSTP1FFAR1AKR1B1FFAR4MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240642-A1 1H-Indole-2-Carboxylic Acid Derivatives Useful As PPAR Modulators SMITHKLINE BEECHAM CORPORATION (US) 2010-09-23 US disclosed
US-20100240642-A1 1H-Indole-2-Carboxylic Acid Derivatives Useful As PPAR Modulators SMITHKLINE BEECHAM CORPORATION (US) 2010-09-23 US disclosed
EP-2081894-A1 1H-INDOLE-2-CARBOXYLIC ACID DERIVATIVES USEFUL AS PPAR MODULATORS SmithKline Beecham Corporation (US) 2009-07-29 EP disclosed
WO-2008028118-A1 1H-INDOLE-2-CARBOXYLIC ACID DERIVATIVES USEFUL AS PPAR MODULATORS SMITHKLINE BEECHAM CORPORAITON (US) 2008-03-06 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 (1 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-20100240642-A1 1H-Indole-2-Carboxylic Acid Derivatives Useful As PPAR Modulators PPARD, PPARA, PPARG GSTP1 1881/4885FFAR1 30/4885AKR1B1 1263/4885

“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.