SCHEMBL3619339

SCHEMBL3619339

CC(C)(Cc1cccc(CC(=O)O)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
NR1H4 Q96RI1 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
GLS O94925 3/20 0.41
AKT1 P31749 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
FABP4 P15090 1/20 0.39
ATM Q13315 1/20 0.39
ENPP2 Q13822 1/20 0.39
ACE P12821 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
AKR1B1 P15121 1/20 0.39
KLK5 Q9Y337 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
SCHEMBL3625060 0.88 SLC7A5 (0.47) CYP2C19ALDH1A1CYP3A4CYP2C9CA12
SCHEMBL2139709 0.86 ALDH1A1 (0.41) CYP2C19ALDH1A1CYP3A4CYP2C9CA12
SCHEMBL13807612 0.85 ALDH1A1 (0.50) CYP2C19ALDH1A1CYP3A4CYP2C9CA12
SCHEMBL14090704 0.85 PTPRB (0.40) CYP2C19ALDH1A1CYP3A4CYP2C9CA12
SCHEMBL14266632 0.84 ALDH1A1 (0.58) CYP2C19CYP1A2ALDH1A1CYP3A4CYP2C9
SCHEMBL2139009 0.84 MRGPRX4 (0.46) CYP2C19ALDH1A1CYP3A4CYP2C9NR1H4
SCHEMBL5796005 0.83 NQO2 (0.43) CYP2C19CYP1A2ALDH1A1CYP3A4CYP2C9
SCHEMBL6215165 0.83 ALDH1A1 (0.41) CYP2C19ALDH1A1CYP3A4CYP2C9CA12
SCHEMBL3627157 0.82 CTSB (0.51) CYP2C19ALDH1A1CYP3A4CYP2C9CA12
SCHEMBL6046380 0.82 PLA2G4B (0.46) CYP2C19CYP1A2ALDH1A1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730103-B1 FORMAMIDE DERIVATIVES USEFUL AS ADRENOCEPTOR PFIZER LTD (GB) 2010-05-26 EP disclosed
EP-1730103-B1 FORMAMIDE DERIVATIVES USEFUL AS ADRENOCEPTOR PFIZER LTD (GB) 2010-05-26 EP disclosed
US-7547731-B2 Formamide derivatives for the treatment of diseases PFIZER INC (US) 2009-06-16 US disclosed
US-7547731-B2 Formamide derivatives for the treatment of diseases PFIZER INC (US) 2009-06-16 US disclosed
US-7547731-B2 Formamide derivatives for the treatment of diseases PFIZER INC (US) 2009-06-16 US disclosed
US-20080207689-A1 Formamide Derivatives For The Treatment of Diseases PFIZER INC 2008-08-28 US disclosed
US-20080207689-A1 Formamide Derivatives For The Treatment of Diseases PFIZER INC 2008-08-28 US disclosed
US-20080207689-A1 Formamide Derivatives For The Treatment of Diseases PFIZER INC 2008-08-28 US disclosed
US-20080193988-A1 Such as 2-(3-{2-[((2R)-2-{4-Benzyloxy-3-[(dimethylsulfonyl)amino]phenyl}-2-{[tert-butyl(dimethyl)silyl]oxy}ethyl)amino]-2-methylpropyl}phenyl)-N-[(4'-hydroxybiphenyl-3-yl)methyl]-acetamide GLADWELL IAIN ROBERT 2008-08-14 US disclosed
US-20080193988-A1 Such as 2-(3-{2-[((2R)-2-{4-Benzyloxy-3-[(dimethylsulfonyl)amino]phenyl}-2-{[tert-butyl(dimethyl)silyl]oxy}ethyl)amino]-2-methylpropyl}phenyl)-N-[(4'-hydroxybiphenyl-3-yl)methyl]-acetamide GLADWELL IAIN ROBERT 2008-08-14 US disclosed
US-20080193988-A1 Such as 2-(3-{2-[((2R)-2-{4-Benzyloxy-3-[(dimethylsulfonyl)amino]phenyl}-2-{[tert-butyl(dimethyl)silyl]oxy}ethyl)amino]-2-methylpropyl}phenyl)-N-[(4'-hydroxybiphenyl-3-yl)methyl]-acetamide GLADWELL IAIN ROBERT 2008-08-14 US disclosed
EP-1907356-A2 PROCESS FOR THE PREPARATION OF SULFONAMIDE DERIVATIVES Pfizer Limited (GB) 2008-04-09 EP disclosed
US-7241810-B2 Formamide derivatives for the treatment of diseases PFIZER INC (US) 2007-07-10 US disclosed
US-7241810-B2 Formamide derivatives for the treatment of diseases PFIZER INC (US) 2007-07-10 US disclosed
US-7241810-B2 Formamide derivatives for the treatment of diseases PFIZER INC (US) 2007-07-10 US disclosed
WO-2007010356-A2 PROCESS FOR THE PREPARATION OF SULFONAMIDE DERIVATIVES PFIZER LIMITED (GB) 2007-01-25 WO disclosed
WO-2007010356-A2 PROCESS FOR THE PREPARATION OF SULFONAMIDE DERIVATIVES PFIZER LIMITED (GB) 2007-01-25 WO disclosed
EP-1730103-A1 FORMAMIDE DERIVATIVES USEFUL AS ADRENOCEPTOR Pfizer Limited (GB) 2006-12-13 EP disclosed
WO-2005092840-A1 FORMAMIDE DERIVATIVES USEFUL AS ADRENOCEPTOR PFIZER LIMITED (GB) 2005-10-06 WO disclosed
US-20050215590-A1 Formamide derivatives for the treatment of diseases PFIZER LIMITED (GB) 2005-09-29 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-20080207689-A1 Formamide Derivatives For The Treatment of Diseases FH, FAH, HRH4 CYP2C19 163/4885CYP1A2 25/4885ALDH1A1 160/4885
US-20080193988-A1 Such as 2-(3-{2-[((2R)-2-{4-Benzyloxy-3-[(dimethylsulfonyl)amino]phenyl}-2-{[tert-butyl(dimethyl)silyl]oxy}ethyl)amino]-2-methylpropyl}phenyl)-N-[(4'-hydroxybiphenyl-3-yl)methyl]-acetamide NR4A1, CYP2A6, GPR6 CYP2C19 1685/4885CYP1A2 316/4885ALDH1A1 1473/4885
US-20050215590-A1 Formamide derivatives for the treatment of diseases FH, FAH, HRH4 CYP2C19 163/4885CYP1A2 25/4885ALDH1A1 160/4885

“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.