SCHEMBL3379870

SCHEMBL3379870

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
FFAR1 O14842 1/20 0.47
PPARG P37231 1/20 0.47
LMNA P02545 4/20 0.46
MCL1 Q07820 3/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 4/20 0.46
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
HTT P42858 2/20 0.43
TP53 P04637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42

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
SCHEMBL4188622 0.89 MCL1 (0.50) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL3382143 0.89 NPC1 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL14281453 0.88 HDAC3 (0.55) NPC1RAB9AALDH1A1LMNAMCL1
SCHEMBL14281452 0.86 MCL1 (0.54) MCL1HDAC3HDAC1HDAC2HDAC8
SCHEMBL4198883 0.82 MCL1 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL3384224 0.81 PPARG (0.48) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL14281454 0.79 HDAC3 (0.53) PPARGMCL1HDAC3HDAC1HDAC2
SCHEMBL6379239 0.78 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL4185186 0.78 MCL1 (0.48) SMN1; SMN2NPC1RAB9AFFAR1PPARG
SCHEMBL6380447 0.77 FFAR1 (0.56) SMN1; SMN2NPC1RAB9AALDH1A1MEN1

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 9 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-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-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
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

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 SMN1; SMN2 4655/4885NPC1 558/4885RAB9A 3917/4885
US-20060154979-A1 Use of alpha-phenylthiocarboxylic and alpha-phenyloxycarboxylic acids with serum-glucose-lowering and serum-lipid-lowering activity LIPC, HMGCR, PNLIP SMN1; SMN2 4112/4885NPC1 382/4885RAB9A 4713/4885
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 SMN1; SMN2 4582/4885NPC1 695/4885RAB9A 3098/4885

“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.