SCHEMBL3383774

SCHEMBL3383774

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
ALDH1A1 P00352 4/20 0.38
CYP1A2 P05177 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
KCNN4 O15554 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSD17B1 P14061 2/20 0.35
HSD17B2 P37059 2/20 0.35
SPR P35270 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KDM4E B2RXH2 2/20 0.35
EGLN2 Q96KS0 1/20 0.35
RET P07949 1/20 0.35

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
SCHEMBL3347843 0.83 TP53 (0.40) CYP3A4CYP1A2ADRB2ADRB1ADRB3
SCHEMBL1063692 0.83 ALDH1A1 (0.39) CYP3A4ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL3381395 0.81 CA12 (0.41) CYP3A4ALDH1A1CYP1A2SMN1; SMN2HSD17B1
SCHEMBL2950028 0.81 KCNN4 (0.50) ALDH1A1KCNN4SMN1; SMN2POLBKDM4E
SCHEMBL1498489 0.80 KDM4E (0.46) ALDH1A1SMN1; SMN2POLBKDM4ELMNA
SCHEMBL3380455 0.80 CA12 (0.42) CYP3A4ESR1ESR2ALDH1A1ADRB2
SCHEMBL3381541 0.79 PPARA (0.39) SMN1; SMN2RAB9A
SCHEMBL9360219 0.76 LCK (0.38) ALDH1A1KCNN4SMN1; SMN2NPC1POLB
SCHEMBL6577199 0.75 ALDH1A1 (0.46) CYP3A4ESR1ESR2ALDH1A1ADRB1
SCHEMBL4607710 0.73 CNR1 (0.53) CYP3A4ESR1ESR2ALDH1A1CYP1A2

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-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 CYP3A4 1442/4885ESR1 1687/4885ESR2 433/4885
US-20060154979-A1 Use of alpha-phenylthiocarboxylic and alpha-phenyloxycarboxylic acids with serum-glucose-lowering and serum-lipid-lowering activity LIPC, HMGCR, PNLIP CYP3A4 1605/4885ESR1 4575/4885ESR2 1335/4885
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 CYP3A4 2541/4885ESR1 1999/4885ESR2 643/4885

“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.