SCHEMBL1561003

SCHEMBL1561003

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
AKR1B1 P15121 2/20 0.50
NR1H4 Q96RI1 2/20 0.48
HPGD P15428 3/20 0.43
HSD17B10 Q99714 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 2/20 0.43
TSHR P16473 2/20 0.43
RGS12 O14924 1/20 0.43
POLB P06746 1/20 0.43
NFKB1 P19838 1/20 0.43
APEX1 P27695 1/20 0.43
THPO P40225 1/20 0.43
BLM P54132 1/20 0.43
GNAI1 P63096 1/20 0.43
PMP22 Q01453 1/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL15782855 0.87 CYP1A2 (0.57) CYP1A2CYP2C19AKR1B1NR1H4HPGD
SCHEMBL14090661 0.86 CYP1A2 (0.41) CYP1A2CYP2C19NR1H4POLBALDH1A1
SCHEMBL3693386 0.84 ATM (0.39) CYP1A2CYP2C19LMNAGRIN2DGRIN3B
SCHEMBL3623604 0.84 CYP1A2 (0.62) CYP1A2CYP2C19AKR1B1NR1H4HPGD
SCHEMBL70565 0.82 AKR1B1 (0.71) CYP1A2CYP2C19AKR1B1HPGDHSD17B10
SCHEMBL14090658 0.81 LMNA (0.58) CYP1A2CYP2C19AKR1B1NR1H4HPGD
SCHEMBL5041863 0.81 CA2 (0.54) AKR1B1NR1H4HPGDHSD17B10KDM4E
Hydrochloric Acid SCHEMBL8922940 0.80 AKR1B1 (0.68) CYP1A2CYP2C19AKR1B1HPGDHSD17B10
SCHEMBL9321449 0.80 AKR1B1 (0.52) CYP1A2CYP2C19AKR1B1NR1H4HPGD
SCHEMBL18116097 0.80 CYP1A2 (0.57) CYP1A2CYP2C19AKR1B1NR1H4HPGD

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 83 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2764866-A1 Inhibitors of nedd8-activating enzyme IP Gesellschaft für Management mbH (DE) 2014-08-13 EP disclosed
EP-2764866-A1 Inhibitors of nedd8-activating enzyme IP Gesellschaft für Management mbH (DE) 2014-08-13 EP disclosed
WO-2013021309-A1 INTERMEDIATE AND PROCESS FOR THE PREPARATION OF A SULFONAMIDE DERIVATIVE PFIZER LIMITED (GB) 2013-02-14 WO disclosed
WO-2013021309-A1 INTERMEDIATE AND PROCESS FOR THE PREPARATION OF A SULFONAMIDE DERIVATIVE PFIZER LIMITED (GB) 2013-02-14 WO disclosed
US-8013019-B2 Sulfonamide derivatives for the treatment of diseases PFIZER INC (US) 2011-09-06 US disclosed
US-8013019-B2 Sulfonamide derivatives for the treatment of diseases PFIZER INC (US) 2011-09-06 US disclosed
US-8013019-B2 Sulfonamide derivatives for the treatment of diseases PFIZER INC (US) 2011-09-06 US disclosed
US-20110152290-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2011-06-23 US disclosed
EP-2303270-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS Sanofi-aventis (FR) 2011-04-06 EP disclosed
US-20100273758-A1 Sulfonamide Derivatives For The Treatment Of Diseases BROWN ALAN DANIEL 2010-10-28 US disclosed
US-20050215590-A1 Formamide derivatives for the treatment of diseases PFIZER LIMITED (GB) 2005-09-29 US disclosed
WO-2005090287-A2 PHENYLETHANOLAMINE DERIVATIVES AS BETA-2 AGONISTS PFIZER LIMITED (GB) 2005-09-29 WO disclosed
EP-1577291-A1 Phenylethanolamine derivatives as beta-2 agonists Pfizer Limited (GB) 2005-09-21 EP disclosed
EP-1574501-A1 Quinolinone derivatives, pharmaceutical compositions containing them and their use Pfizer Limited (GB) 2005-09-14 EP disclosed
WO-2005080324-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER LIMITED (GB) 2005-09-01 WO disclosed
WO-2005080313-A2 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER LIMITED (GB) 2005-09-01 WO disclosed
US-20050182091-A1 For therapy of asthma or chronic obstructive pulmonary disease (COPD) in a mammal PFIZER INC. 2005-08-18 US disclosed
US-20050171147-A1 Sulfonamide derivatives for the treatment of diseases PFIZER INC. 2005-08-04 US disclosed
US-20050014763-A1 2-Amino-pyridine derivatives useful for the treatment of diseases PFIZER INC 2005-01-20 US disclosed
WO-2004108676-A1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS PFIZER LIMITED (GB) 2004-12-16 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 (6 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-20050014763-A1 2-Amino-pyridine derivatives useful for the treatment of diseases PAH, AADAT, IL4I1 CYP1A2 26/4885CYP2C19 130/4885AKR1B1 256/4885
US-20100273758-A1 Sulfonamide Derivatives For The Treatment Of Diseases SULT2A1, STS, SULT1A1 CYP1A2 61/4885CYP2C19 137/4885AKR1B1 168/4885
US-20050182091-A1 For therapy of asthma or chronic obstructive pulmonary disease (COPD) in a mammal LTC4S, LTB4R2, LTB4R CYP1A2 142/4885CYP2C19 560/4885AKR1B1 208/4885
US-20110152290-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS EDF1, LPAR2, LIPG CYP1A2 1341/4885CYP2C19 2748/4885AKR1B1 960/4885
US-20050171147-A1 Sulfonamide derivatives for the treatment of diseases SULT2A1, STS, SULT1A1 CYP1A2 61/4885CYP2C19 137/4885AKR1B1 168/4885
US-20050215590-A1 Formamide derivatives for the treatment of diseases FH, FAH, HRH4 CYP1A2 25/4885CYP2C19 163/4885AKR1B1 90/4885

“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.