SCHEMBL6856097

SCHEMBL6856097

CCOC(=O)c1c(Br)c2cc(OCc3ccccc3)ccc2n1Cc1cccc(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 11/20 0.63
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
PLA2G1B P04054 1/20 0.49
EDNRB P24530 1/20 0.48
EDNRA P25101 1/20 0.48

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
SCHEMBL6851293 0.86 KDM4E (0.53) PLA2G2ATSHREDNRBEDNRA
SCHEMBL6851257 0.83 PLA2G2A (0.53) PLA2G2AKMT2AEDNRBEDNRA
SCHEMBL2808197 0.82 PLA2G2A (0.46) PLA2G2AEDNRBEDNRA
SCHEMBL8291679 0.82 PLA2G2A (0.76) PLA2G2ATSHRMAPK1KMT2APLA2G1B
SCHEMBL9142215 0.81 MEN1 (0.54) KMT2A
SCHEMBL6851204 0.81 PLA2G2A (0.53) PLA2G2AKMT2AEDNRBEDNRA
SCHEMBL6855807 0.80 KDM4E (0.45) PLA2G2AEDNRBEDNRA
SCHEMBL8291566 0.79 PLA2G2A (0.81) PLA2G2ATSHRMAPK1KMT2APLA2G1B
SCHEMBL6598438 0.79 ABCB11 (0.59) PLA2G2AEDNRBEDNRA
SCHEMBL2205262 0.78 CDC7 (0.49)

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 PLA2G2A 533/4885TSHR 914/4885MAPK1 2622/4885

“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.