SCHEMBL2808105

SCHEMBL2808105

Cc1ccc(Br)cc1Cn1c(C(=O)OCc2ccccc2)c(-c2ccc(C(C)(C)C)cc2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 2/20 0.43
MAPK8 P45983 10/20 0.42
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
PPARG P37231 3/20 0.39
PTGER1 P34995 1/20 0.39
EDNRB P24530 1/20 0.39
EDNRA P25101 1/20 0.39
HDAC6 Q9UBN7 2/20 0.38
HDAC1 Q13547 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
SCHEMBL2806158 0.91 KMT2A (0.45) SERPINE1MAPK8MEN1USP2ALDH1A1
SCHEMBL2805537 0.89 SERPINE1 (0.46) SERPINE1MAPK8MEN1USP2ALDH1A1
SCHEMBL2810307 0.88 SERPINE1 (0.41) SERPINE1MAPK8MEN1USP2ALDH1A1
SCHEMBL2805766 0.88 SERPINE1 (0.45) SERPINE1MAPK8MEN1USP2ALDH1A1
SCHEMBL4397413 0.88 SERPINE1 (0.52) SERPINE1MAPK8MEN1USP2ALDH1A1
SCHEMBL13168627 0.87 KMT2A (0.40) SERPINE1MAPK8MEN1USP2ALDH1A1
SCHEMBL2806169 0.87 SERPINE1 (0.42) SERPINE1MAPK8MEN1USP2ALDH1A1
SCHEMBL2805777 0.84 SERPINE1 (0.42) SERPINE1MEN1ALDH1A1KMT2APPARG
SCHEMBL2807928 0.82 KDM4E (0.44) SERPINE1MEN1USP2ALDH1A1KMT2A
SCHEMBL2806962 0.81 CYP19A1 (0.46) 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 3 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
CN-101563322-A 1H-indole-2-carboxylic acid derivatives useful as PPAR modulators SMITHKLINE BEECHAM CORPORAITON (US) 2009-10-21 CN 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 4215/4885MAPK8 2290/4885MEN1 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.