SCHEMBL4980302

SCHEMBL4980302

CC(C)(C)c1ccc(Nc2ccc3c(c2)c(-c2ccccc2)c(C(=O)O)n3Cc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 6/20 1.00
PPARG P37231 5/20 0.48
EDNRB P24530 5/20 0.46
EDNRA P25101 5/20 0.46
PTGES O14684 2/20 0.45
PTGES2 Q9H7Z7 2/20 0.42

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
SCHEMBL4982359 0.96 SERPINE1 (0.92) SERPINE1PPARGEDNRBEDNRAPTGES
SCHEMBL4980145 0.90 SERPINE1 (0.81) SERPINE1PPARGEDNRBEDNRA
SCHEMBL4893854 0.83 SERPINE1 (1.00) SERPINE1PPARG
SCHEMBL4982128 0.81 SERPINE1 (0.68) SERPINE1EDNRBEDNRA
SCHEMBL4884301 0.81 SERPINE1 (0.80) SERPINE1EDNRBEDNRA
SCHEMBL5419800 0.80 SERPINE1 (0.66) SERPINE1EDNRBEDNRA
SCHEMBL27664461 0.80 SERPINE1 (0.66) SERPINE1EDNRBEDNRA
SCHEMBL27643174 0.79 SERPINE1 (0.66) SERPINE1PPARGPTGESPTGES2
SCHEMBL5172234 0.79 SERPINE1 (0.66) SERPINE1PPARGEDNRBEDNRAPTGES
SCHEMBL4892537 0.78 SERPINE1 (1.00) SERPINE1PPARGEDNRBEDNRA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332521-B2 Substituted indoles WYETH (US) 2008-02-19 US claimed
JP-2007506772-A 2007-03-22 JP claimed
EP-1667970-A1 HETEROCYCLIC- OR ARYLOXY, -THIO 0R -AMINO SUBSTITUTED INDOLES-2-CARBOXYLIC ACIDS OR ESTERS AS PAI-1 INHIBITORS Wyeth (US) 2006-06-14 EP claimed
US-20050119327-A1 Substituted indoles WYETH (US) 2005-06-02 US claimed
WO-2005030716-A1 HETEROCYCLIC- OR ARYLOXY, -THIO OR -AMINO SUBSTITUTED INDOLES-2-CARBOXYLIC ACIDS OR ESTERS AS PAI-1 WYETH (US) 2005-04-07 WO claimed
US-7332521-B2 Substituted indoles WYETH (US) 2008-02-19 US disclosed
CN-1890214-A Heterocyclic- or aryloxy, -thio or -amino substituted indoles-2-carboxylic acids or esters as pai-1 WYETH CORP (US) 2007-01-03 CN disclosed
EP-1667970-A1 HETEROCYCLIC- OR ARYLOXY, -THIO 0R -AMINO SUBSTITUTED INDOLES-2-CARBOXYLIC ACIDS OR ESTERS AS PAI-1 INHIBITORS Wyeth (US) 2006-06-14 EP disclosed
US-20050119327-A1 Substituted indoles WYETH (US) 2005-06-02 US disclosed
WO-2005030716-A1 HETEROCYCLIC- OR ARYLOXY, -THIO OR -AMINO SUBSTITUTED INDOLES-2-CARBOXYLIC ACIDS OR ESTERS AS PAI-1 WYETH (US) 2005-04-07 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-20050119327-A1 Substituted indoles IDO2, IDO1, TPH2 SERPINE1 4772/4885PPARG 3051/4885EDNRB 895/4885

“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.