SCHEMBL2806962

SCHEMBL2806962

CCOC(=O)c1c(-c2ccc(C(C)(C)C)cc2)c2ccccc2n1Cc1cccc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.46
SERPINE1 P05121 2/20 0.46
MAPK8 P45983 4/20 0.45
PPARG P37231 6/20 0.45
TP53 P04637 1/20 0.43
F10 P00742 2/20 0.42
F2RL3 Q96RI0 1/20 0.41
MDM2 Q00987 1/20 0.41

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
SCHEMBL2814267 0.93 SERPINE1 (0.47) SERPINE1MAPK8PPARGTP53F2RL3
SCHEMBL13168309 0.88 SERPINE1 (0.49) SERPINE1MAPK8PPARGTP53F10
SCHEMBL2806158 0.86 KMT2A (0.45) SERPINE1MAPK8PPARGTP53
SCHEMBL2808118 0.86 SERPINE1 (0.49) SERPINE1MAPK8PPARGF10F2RL3
SCHEMBL2807096 0.85 SERPINE1 (0.49) SERPINE1PPARGTP53F2RL3MDM2
SCHEMBL2808138 0.84 SERPINE1 (0.47) SERPINE1PPARG
SCHEMBL13168236 0.84 SERPINE1 (0.46) SERPINE1PPARG
SCHEMBL2809128 0.83 SERPINE1 (0.41) SERPINE1PPARGTP53F10F2RL3
SCHEMBL2810210 0.83 SERPINE1 (0.41) SERPINE1PPARGTP53F10MDM2
SCHEMBL2808105 0.81 SERPINE1 (0.43) SERPINE1MAPK8PPARG

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 CYP19A1 583/4885SERPINE1 4215/4885MAPK8 2290/4885

“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.