SCHEMBL2811523

SCHEMBL2811523

Cc1ccc(-c2cccc(C(=O)NCc3cccs3)c2)cc1Cn1c(C(=O)O)c(-c2ccc(C(C)(C)C)cc2)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
SERPINE1 P05121 2/20 0.45
PPARG P37231 2/20 0.44
HPGD P15428 2/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 2/20 0.41
POLB P06746 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
THRB P10828 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
USP2 O75604 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
CPT1A P50416 1/20 0.38

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
SCHEMBL2809968 0.95 MAPT (0.54) MAPTSERPINE1PPARGHPGDALDH1A1
SCHEMBL2811528 0.93 MAPT (0.47) MAPTSERPINE1PPARGALDH1A1MEN1
SCHEMBL2814338 0.88 MAPT (0.49) MAPTSERPINE1PPARGALDH1A1MEN1
SCHEMBL2807069 0.86 SERPINE1 (0.51) MAPTSERPINE1PPARGALDH1A1MEN1
SCHEMBL2810186 0.80 SERPINE1 (0.54) MAPTSERPINE1PPARGALDH1A1MEN1
SCHEMBL2807914 0.79 SERPINE1 (0.54) MAPTSERPINE1PPARGALDH1A1KDM4E
SCHEMBL2813528 0.78 SERPINE1 (0.50) MAPTSERPINE1PPARGALDH1A1MEN1
SCHEMBL2808598 0.78 SERPINE1 (0.44) MAPTSERPINE1PPARGALDH1A1MEN1
SCHEMBL2809001 0.77 SERPINE1 (0.50) MAPTSERPINE1PPARGALDH1A1MEN1
SCHEMBL2805766 0.76 SERPINE1 (0.45) SERPINE1PPARGALDH1A1MEN1KMT2A

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 5 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 claimed
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
US-20100240642-A1 1H-Indole-2-Carboxylic Acid Derivatives Useful As PPAR Modulators SMITHKLINE BEECHAM CORPORATION (US) 2010-09-23 US 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 MAPT 2916/4885SERPINE1 4215/4885PPARG 3/4885

“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.