SCHEMBL2806158

SCHEMBL2806158

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SERPINE1 P05121 2/20 0.41
THRB P10828 1/20 0.41
TP53 P04637 1/20 0.40
USP2 O75604 1/20 0.40
MAPK8 P45983 6/20 0.40
TSPO P30536 1/20 0.39
PTGER4 P35408 2/20 0.39
ELANE P08246 1/20 0.38
PPARG P37231 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
SCHEMBL13168627 0.92 KMT2A (0.40) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL2808105 0.91 SERPINE1 (0.43) KMT2AMEN1ALDH1A1SERPINE1USP2
SCHEMBL2810307 0.91 SERPINE1 (0.41) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL4397413 0.89 SERPINE1 (0.52) KMT2AMEN1ALDH1A1MAPTSERPINE1
SCHEMBL2807928 0.88 KDM4E (0.44) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL2806589 0.87 SERPINE1 (0.43) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL2806962 0.86 CYP19A1 (0.46) SERPINE1TP53MAPK8PPARG
SCHEMBL2814267 0.86 SERPINE1 (0.47) KMT2AMEN1KDM4ESERPINE1TP53
SCHEMBL13168276 0.85 PIN1 (0.42) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL2809747 0.85 KMT2A (0.41) KMT2AMEN1ALDH1A1KDM4EGAA

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.