SCHEMBL2805824

SCHEMBL2805824

CC(=O)c1ccc(-c2c(C(=O)O)n(Cc3cc(-c4ccc(C(=O)O)cc4)ccc3C)c3ccccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
USP2 O75604 1/20 0.51
EDNRB P24530 3/20 0.47
EDNRA P25101 2/20 0.47
MAPT P10636 2/20 0.43
FOLH1 Q04609 4/20 0.42
SERPINE1 P05121 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RORC P51449 1/20 0.39
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL2810186 0.89 SERPINE1 (0.54) ALDH1A1MEN1KMT2AUSP2EDNRB
SCHEMBL2811225 0.83 MEN1 (0.45) ALDH1A1MEN1KMT2AUSP2EDNRB
SCHEMBL2806729 0.83 KMT2A (0.45) ALDH1A1MEN1KMT2AUSP2EDNRB
SCHEMBL2809001 0.81 SERPINE1 (0.50) ALDH1A1MEN1KMT2AUSP2EDNRB
SCHEMBL2807914 0.81 SERPINE1 (0.54) ALDH1A1MEN1KMT2AUSP2EDNRB
SCHEMBL2808191 0.81 SERPINE1 (0.45) ALDH1A1MEN1KMT2AUSP2EDNRB
SCHEMBL2805537 0.79 SERPINE1 (0.46) ALDH1A1MEN1KMT2AUSP2EDNRB
SCHEMBL2810361 0.79 SERPINE1 (0.51) ALDH1A1MEN1KMT2AUSP2EDNRB
SCHEMBL14270697 0.79 KMT2A (0.53) ALDH1A1MEN1KMT2AUSP2EDNRB
SCHEMBL13168630 0.78 PIN1 (0.44) ALDH1A1MEN1KMT2AUSP2EDNRB

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 7 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
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
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 ALDH1A1 402/4885MEN1 4809/4885KMT2A 2100/4885

“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.