SCHEMBL7035429

SCHEMBL7035429

O=C(O)c1c(-c2cc(C3CC3)cs2)c2ccccc2n1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
MAPK10 P53779 1/20 0.46
PPARG P37231 6/20 0.45
FABP4 P15090 2/20 0.44
FEN1 P39748 1/20 0.42
EDNRB P24530 2/20 0.42
EDNRA P25101 2/20 0.42
PTGER4 P35408 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
FOLH1 Q04609 2/20 0.40
CPT1A P50416 1/20 0.40
ALDH1A2 O94788 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALDH2 P05091 1/20 0.40
ALDH3A1 P30838 1/20 0.40
ALDH1A3 P47895 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
Potassium Ion SCHEMBL6851222 0.91 MAPT (0.44) MAPTMAPK10PPARGFABP4SIGMAR1
SCHEMBL7110258 0.88 PPARG (0.45) MAPTMAPK10PPARGALDH1A1MEN1
SCHEMBL24482671 0.81 MAPT (0.53) MAPTMAPK10PPARGFABP4PTGER4
SCHEMBL6855595 0.78 MAPT (0.48) MAPTMAPK10PPARGFABP4FEN1
SCHEMBL7035422 0.76 PPARG (0.53) MAPTMAPK10PPARGFABP4EDNRB
SCHEMBL27581403 0.75 PPARG (0.53) MAPTMAPK10PPARGFABP4EDNRB
SCHEMBL27580260 0.75 PPARG (0.53) MAPTMAPK10PPARGFABP4EDNRB
SCHEMBL7039948 0.75 PPARG (0.59) MAPTMAPK10PPARGFABP4EDNRB
SCHEMBL6300362 0.75 MAPT (0.57) MAPTMAPK10PPARGFABP4FEN1
SCHEMBL24482780 0.75 CCR2 (0.65) MAPTMAPK10PPARGFABP4PTGER4

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 MAPT 3447/4885MAPK10 1496/4885PPARG 1/4885

“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.