SCHEMBL4188622

SCHEMBL4188622

CC(C)(Sc1ccc(OCCn2ccc3ccccc32)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 7/20 0.50
FFAR1 O14842 1/20 0.48
PPARG P37231 1/20 0.48
MAPK1 P28482 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
BCL2 P10415 1/20 0.43
LMNA P02545 3/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 2/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.42
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41

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
SCHEMBL3379870 0.89 SMN1; SMN2 (0.47) MCL1FFAR1PPARGMAPK1SMN1; SMN2
SCHEMBL4198883 0.88 MCL1 (0.48) MCL1FFAR1PPARGMAPK1SMN1; SMN2
SCHEMBL4185186 0.88 MCL1 (0.48) MCL1FFAR1PPARGMAPK1SMN1; SMN2
SCHEMBL14281454 0.87 HDAC3 (0.53) MCL1PPARGBCL2
SCHEMBL14281451 0.86 MCL1 (0.56) MCL1BCL2
SCHEMBL4187453 0.81 PPARG (0.53) PPARGMAPK1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL3382143 0.78 NPC1 (0.48) MCL1FFAR1PPARGMAPK1SMN1; SMN2
SCHEMBL14281452 0.78 MCL1 (0.54) MCL1BCL2
SCHEMBL14281453 0.78 HDAC3 (0.55) MCL1NPC1ALDH1A1RAB9ABCL2
SCHEMBL4194600 0.77 MCL1 (0.46) MCL1FFAR1PPARGMAPK1SMN1; SMN2

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 10 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-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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 MCL1 2419/4885FFAR1 38/4885PPARG 3/4885
US-20060154979-A1 Use of alpha-phenylthiocarboxylic and alpha-phenyloxycarboxylic acids with serum-glucose-lowering and serum-lipid-lowering activity LIPC, HMGCR, PNLIP MCL1 3785/4885FFAR1 291/4885PPARG 225/4885

“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.