SCHEMBL2806589

SCHEMBL2806589

CCOC(=O)c1c(-c2ccc(C(C)(C)C)cc2)c2ccccc2n1Cc1cc(-c2ccc(C(=O)OC)cc2)ccc1C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 2/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
PTGER4 P35408 5/20 0.41
PPARG P37231 2/20 0.40
MAPK8 P45983 1/20 0.39
F2RL3 Q96RI0 2/20 0.38
TP53 P04637 1/20 0.38
USP2 O75604 1/20 0.38
THRB P10828 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
SCHEMBL2807928 0.91 KDM4E (0.44) SERPINE1KMT2AMEN1ALDH1A1NPSR1
SCHEMBL2806729 0.90 KMT2A (0.45) KMT2AMEN1ALDH1A1NPSR1KDM4E
SCHEMBL2808118 0.88 SERPINE1 (0.49) SERPINE1PPARGMAPK8F2RL3
SCHEMBL13168276 0.87 PIN1 (0.42) SERPINE1KMT2AMEN1ALDH1A1NPSR1
SCHEMBL2809747 0.87 KMT2A (0.41) SERPINE1KMT2AMEN1ALDH1A1NPSR1
SCHEMBL2806158 0.87 KMT2A (0.45) SERPINE1KMT2AMEN1ALDH1A1NPSR1
SCHEMBL2805777 0.86 SERPINE1 (0.42) SERPINE1KMT2AMEN1ALDH1A1NPSR1
SCHEMBL13168630 0.85 PIN1 (0.44) SERPINE1KMT2AMEN1ALDH1A1NPSR1
SCHEMBL2806746 0.85 SERPINE1 (0.46) SERPINE1ALDH1A1NPSR1PTGER4PPARG
SCHEMBL2805537 0.85 SERPINE1 (0.46) SERPINE1KMT2AMEN1ALDH1A1PPARG

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 6 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
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 SERPINE1 4215/4885KMT2A 2100/4885MEN1 4809/4885

“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.