SCHEMBL2806729

SCHEMBL2806729

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
ALDH1A1 P00352 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
PTGER4 P35408 5/20 0.41
MAPK8 P45983 3/20 0.40
F2RL3 Q96RI0 2/20 0.40
USP2 O75604 1/20 0.40
THRB P10828 1/20 0.40
LMNA P02545 1/20 0.39
F10 P00742 1/20 0.38
EDNRB P24530 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
SCHEMBL2806589 0.90 SERPINE1 (0.43) KMT2AMEN1ALDH1A1NPSR1MAPT
SCHEMBL2808055 0.86 MEN1 (0.47) KMT2AMEN1ALDH1A1NPSR1MAPT
SCHEMBL2805824 0.83 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL2807928 0.81 KDM4E (0.44) KMT2AMEN1ALDH1A1NPSR1MAPT
SCHEMBL2808118 0.78 SERPINE1 (0.49) MAPK8F2RL3F10
SCHEMBL13168276 0.78 PIN1 (0.42) KMT2AMEN1ALDH1A1NPSR1MAPT
SCHEMBL2809747 0.78 KMT2A (0.41) KMT2AMEN1ALDH1A1NPSR1MAPT
SCHEMBL2805777 0.76 SERPINE1 (0.42) KMT2AMEN1ALDH1A1NPSR1MAPT
SCHEMBL2806158 0.76 KMT2A (0.45) KMT2AMEN1ALDH1A1NPSR1MAPT
SCHEMBL13168630 0.75 PIN1 (0.44) KMT2AMEN1ALDH1A1NPSR1MAPT

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

“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.