SCHEMBL7110249

SCHEMBL7110249

CCOC(=O)c1c(-c2ccc(SC3CC3)cc2)c2ccccc2n1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.53
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 2/20 0.42
MAPK10 P53779 1/20 0.42
F2RL3 Q96RI0 1/20 0.40
MDM4 O15151 1/20 0.38
MDM2 Q00987 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
F10 P00742 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
SCHEMBL7035422 0.88 PPARG (0.53) PPARGALDH1A1MAPTMAPK10
SCHEMBL27580260 0.88 PPARG (0.53) PPARGALDH1A1MAPTMAPK10
SCHEMBL27581403 0.88 PPARG (0.53) PPARGALDH1A1MAPTMAPK10
Potassium Ion SCHEMBL6851213 0.87 PPARG (0.52) PPARGALDH1A1MAPTMAPK10HDAC1
SCHEMBL6857727 0.85 PPARG (0.72) PPARGSMN1; SMN2MAPTMAPK10F2RL3
SCHEMBL6851282 0.79 ALDH1A1 (0.48) PPARGALDH1A1SMN1; SMN2MAPTMAPK10
SCHEMBL7110258 0.78 PPARG (0.45) PPARGALDH1A1SMN1; SMN2MAPTMAPK10
SCHEMBL6858320 0.78 PPARG (0.49) PPARGALDH1A1SMN1; SMN2MAPTMAPK10
SCHEMBL6856138 0.77 MAPT (0.51) PPARGMAPTMAPK10F10
SCHEMBL6091680 0.77 PPARG (0.61) PPARGF2RL3

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 2 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
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

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 PPARG 1/4885ALDH1A1 2691/4885SMN1; SMN2 4846/4885

“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.