SCHEMBL3383503

SCHEMBL3383503

COC(=O)C(C)(C)Sc1cccc(OCCn2c3ccccc3c3ccccc32)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
PSEN1 P49768 5/20 0.41
PSEN2 P49810 5/20 0.41
APH1B Q8WW43 5/20 0.41
NCSTN Q92542 5/20 0.41
APH1A Q96BI3 5/20 0.41
PSENEN Q9NZ42 5/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
TSHR P16473 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EDNRB P24530 1/20 0.40
EDNRA P25101 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL4194335 0.89 PPARG (0.45) PKMPSEN1PSEN2APH1BNCSTN
SCHEMBL3384224 0.88 PPARG (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3382143 0.82 NPC1 (0.48) PKMPPARGTSHRMAPTMEN1
SCHEMBL4191237 0.82 PPARG (0.45) PKMPSEN1PSEN2APH1BNCSTN
SCHEMBL4187453 0.77 PPARG (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6386818 0.76 LTA4H (0.45) PKMTSHRKDM4EMAPTMEN1
SCHEMBL3379858 0.75 ADAM17 (0.48) PPARGPPARDPPARAMAPTMEN1
SCHEMBL3383701 0.74 SIRT2 (0.47) PPARGPPARDPPARAMAPTMEN1
SCHEMBL6386813 0.72 MTNR1A (0.43) PPARGPPARA
SCHEMBL4185186 0.72 MCL1 (0.48) PKMPPARGMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572180-B1 USE OF ALPHA-PHENYLTHIOCARBOXYLIC ACIDS WITH SERUM-GLUCOSE-LOWERING AND SERUM-LIPID-LOWERING ACTIVITY SIGMA TAU IND FARMACEUTI (IT) 2009-02-25 EP claimed
US-7375124-B2 Use of α-phenylthiocarboxylic and α-phenyloxycarboxylic acids with serum-glucose-lowering and serum-lipid-lowering activity SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-05-20 US claimed
US-20080027098-A1 Derivatives of alpha-phenylthiocarboxylic and alpha-phenyloxy-carboxylic acids useful for the treatment of diseases responding to PPARalpha activation SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-01-31 US claimed
US-20060154979-A1 Use of alpha-phenylthiocarboxylic and alpha-phenyloxycarboxylic acids with serum-glucose-lowering and serum-lipid-lowering activity SIGMA-TAU INDUSTRE FARMACEUTICHE RIUNITE S.P.A. (IT) 2006-07-13 US claimed
EP-1572180-A1 USE OF a-PHENYLTHIOCARBOXYLIC AND a-PHENYLOXYCARBOXYLIC A CIDS WITH SERUM-GLUCOSE-LOWERING AND SERUM-LIPID-LOWERING ACTIVITY Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2005-09-14 EP claimed
WO-2004056355-A1 USE OF α-PHENYLTHIOCARBOXYLIC AND α-PHENYLOXYCARBOXYLIC ACIDS WITH SERUM-GLUCOSE-LOWERING AND SERUM-LIPID-LOWERING ACTIVITY SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2004-07-08 WO claimed
EP-1474387-B1 DERIVATIVES OF ALPHA-PHENYLTHIOCARBOXYLIC AND ALPHA-PHENYLOXY-CARBOXYLIC ACIDS USEFUL FOR THE TREATMENT OF DISEASES RESPONDING TO PPAR ALPHA ACTIVATION SIGMA TAU IND FARMACEUTI (IT) 2010-11-24 EP disclosed
EP-1572180-B1 USE OF ALPHA-PHENYLTHIOCARBOXYLIC ACIDS WITH SERUM-GLUCOSE-LOWERING AND SERUM-LIPID-LOWERING ACTIVITY SIGMA TAU IND FARMACEUTI (IT) 2009-02-25 EP disclosed
US-7375124-B2 Use of α-phenylthiocarboxylic and α-phenyloxycarboxylic acids with serum-glucose-lowering and serum-lipid-lowering activity SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-05-20 US disclosed
US-20080027098-A1 Derivatives of alpha-phenylthiocarboxylic and alpha-phenyloxy-carboxylic acids useful for the treatment of diseases responding to PPARalpha activation SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-01-31 US disclosed
US-20060154979-A1 Use of alpha-phenylthiocarboxylic and alpha-phenyloxycarboxylic acids with serum-glucose-lowering and serum-lipid-lowering activity SIGMA-TAU INDUSTRE FARMACEUTICHE RIUNITE S.P.A. (IT) 2006-07-13 US disclosed
EP-1572180-A1 USE OF a-PHENYLTHIOCARBOXYLIC AND a-PHENYLOXYCARBOXYLIC A CIDS WITH SERUM-GLUCOSE-LOWERING AND SERUM-LIPID-LOWERING ACTIVITY Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2005-09-14 EP disclosed
US-20050054671-A1 Derivatives of alpha-phenylthiocarboxylic and $g(a)-phenyloxy-carboxylic acids useful for the treatment of diseases responding to pparalpha activation SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P. A 2005-03-10 US disclosed
EP-1474387-A2 DERIVATIVES OF ALPHA-PHENYLTHIOCARBOXYLIC AND ALPHA-PHENYLOXY-CARBOXYLIC ACIDS USEFUL FOR THE TREATMENT OF DISEASES RESPONDING TO PPAR ALPHA ACTIVATION Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2004-11-10 EP disclosed
WO-2004056355-A1 USE OF α-PHENYLTHIOCARBOXYLIC AND α-PHENYLOXYCARBOXYLIC ACIDS WITH SERUM-GLUCOSE-LOWERING AND SERUM-LIPID-LOWERING ACTIVITY SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2004-07-08 WO disclosed
WO-2003059875-A2 DERIVATIVES OF α-PHENYLTHIOCARBOXYLIC AND α-PHENYLOXY-CARBOXYLIC ACIDS USEFUL FOR THE TREATMENT OF DISEASES RESPONDING TO PPARα ACTIVATION SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2003-07-24 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 (3 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-20080027098-A1 Derivatives of alpha-phenylthiocarboxylic and alpha-phenyloxy-carboxylic acids useful for the treatment of diseases responding to PPARalpha activation PPARA, PPARD, PPARG PKM 465/4885PSEN1 1881/4885PSEN2 2513/4885
US-20060154979-A1 Use of alpha-phenylthiocarboxylic and alpha-phenyloxycarboxylic acids with serum-glucose-lowering and serum-lipid-lowering activity LIPC, HMGCR, PNLIP PKM 633/4885PSEN1 843/4885PSEN2 666/4885
US-20050054671-A1 Derivatives of alpha-phenylthiocarboxylic and $g(a)-phenyloxy-carboxylic acids useful for the treatment of diseases responding to pparalpha activation PPARG, PPARA, PPARD PKM 752/4885PSEN1 1882/4885PSEN2 2435/4885

“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.