SCHEMBL6856151

SCHEMBL6856151

COc1cccc(Cn2c(C(=O)O)c(-c3ccc(C(C)(C)C)cc3)c3cc(CCOCC4CC4)ccc32)c1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 5/20 0.50
EDNRB P24530 9/20 0.48
EDNRA P25101 8/20 0.48
CCR9 P51686 1/20 0.40
PPARG P37231 2/20 0.39

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
SCHEMBL27597871 0.99 SERPINE1 (0.49) SERPINE1EDNRBEDNRACCR9PPARG
SCHEMBL6857563 0.93 SERPINE1 (0.43) SERPINE1EDNRBEDNRACCR9PPARG
Hydrochloric Acid SCHEMBL6859387 0.82 SERPINE1 (0.57) SERPINE1EDNRBEDNRAPPARG
SCHEMBL6857652 0.80 SERPINE1 (0.57) SERPINE1EDNRBEDNRAPPARG
SCHEMBL6856131 0.78 EDNRB (0.54) EDNRBEDNRA
SCHEMBL2807519 0.78 SERPINE1 (0.50) SERPINE1EDNRBEDNRAPPARG
SCHEMBL6857506 0.77 EDNRB (0.52) EDNRBEDNRAPPARG
SCHEMBL6858262 0.77 EDNRB (0.47) SERPINE1EDNRBEDNRA
SCHEMBL6858334 0.77 EDNRB (0.62) SERPINE1EDNRBEDNRA
SCHEMBL6859423 0.77 KMT2A (0.46) SERPINE1EDNRBEDNRAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6787651-B2 2-CARBOXY-SUBSTITUTED; TREATING OSTEOPENIA, OSTEOPOROSIS, CANCER, DIABETES AND ATHEROSCLEROSIS. SMITHKLINE BEECHAM CORPORATION 2004-09-07 US disclosed
EP-1341761-A1 SUBSTITUTED INDOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH INDOLES AND THEIR USE AS PPAR-$g(g) BINDING AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-10 EP disclosed
US-20030087902-A1 Substituted indoles, pharmaceutical compounds containing such indoles and their use as PPAR-gamma binding agents SMITHKLINE BEECHAM CORPORATION 2003-05-08 US disclosed
WO-2002030895-A1 SUBSTITUTED INDOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH INDOLES AND THEIR USE AS PPAR-η BINDING AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-18 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-20030087902-A1 Substituted indoles, pharmaceutical compounds containing such indoles and their use as PPAR-gamma binding agents PPARG, PPARA, PPARD SERPINE1 4051/4885EDNRB 170/4885EDNRA 98/4885

“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.