SCHEMBL10450797

SCHEMBL10450797

CC(O)c1ccc(O)c(CO)c1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 15/20 0.57
ADRB1 P08588 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
TSHR P16473 1/20 0.57
NFKB1 P19838 1/20 0.57
HIF1A Q16665 1/20 0.57
TDP1 Q9NUW8 1/20 0.55
PMP22 Q01453 1/20 0.50
KLF10 Q13118 1/20 0.48
PKM P14618 1/20 0.47

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
SCHEMBL14220262 1.00 ADRB2 (0.57) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL22607306 1.00 ADRB2 (0.57) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL10215349 0.86 ADRB2 (0.54) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL1145899 0.81 ADRB2 (0.54) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL112701 0.81 PKM (0.61) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL14291852 0.81 ADRB2 (0.62) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL19236388 0.81 ADRB2 (0.62) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL4122824 0.80 ADRB2 (0.71) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL14622394 0.80 ADRB2 (0.54) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL2579612 0.79 ADRB2 (0.50) ADRB2ADRB1CYP1A2CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0361910-A1 Granular pharmaceutical formulations RHONE POULENC RORER LIMITED (GB) 1990-04-04 EP claimed
US-20120321565-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 17ALPHA-FURANYLESTERS OF 17BETA-CARBOTHIATE ANDROSTANES WITH A MUSCARINIC RECEPTOR ANTAGONIST GLAXOSMITHKLINE INTELLECTUAL PROPERTY MANAGEMENT LIMITED (GB) 2012-12-20 US disclosed
US-8003663-B2 N-{[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}-4-({8-[(2-hydroxyethyl)(methyl)amino]octanoyl}amino)benzamide; phosphodiesterase inhibitor; antiinflammatory, antiallergenic agent; chronic obstructive pulmonary disease (COPD), asthma, or rhinitis GLAXO GROUP LIMITED (GB) 2011-08-23 US disclosed
CN-101108809-B 1- (alkylaminoalkyl-pyrrolidine-/piperidinyl) -2, 2-diphenylacetamide derivatives as muscarinic receptor antagonists THERAVANCE INC 2010-07-14 CN disclosed
US-7709497-B2 Pyrazolo[3,4-b]pyridine compound, and its use as a PDE4 inhibitor GLAXO GROUP LIMITED (GB) 2010-05-04 US disclosed
US-20090325952-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED 2009-12-31 US disclosed
US-20090326003-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2009-12-31 US disclosed
US-20090318494-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED 2009-12-24 US disclosed
US-7592329-B2 Crystalline complexes of fluticasone-2-furoate GLAXO GROUP LIMITED (GB) 2009-09-22 US disclosed
US-7528148-B2 Pyrazolo[3,4-B]pyridine compounds, and their use as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2009-05-05 US disclosed
US-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED 2008-06-05 US disclosed
EP-1444248-B1 NOVEL ANTI-INFLAMMATORY ANDROSTANE DERIVATIVES - 17-CARBOXY-LACTONE SUBSTITUTED STEROIDS WITH AN ARYL-CARBOXYLIC ESTER IN POSITION 17.ALPHA GLAXO GROUP LTD (GB) 2008-04-30 EP disclosed
US-20080058369-A1 Pyrazolo[3,4-b]pyridine compounds, and their use as PDE4 inhibitors GLAXO GROUP LIMITED (GB) 2008-03-06 US disclosed
WO-2008017827-A2 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LIMITED (GB) 2008-02-14 WO disclosed
WO-2008017824-A1 BICYCLO [2. 2. 1] HEPT-7-YLAMINE DERIVATIVES AND THEIR USE ARGENTA DISCOVERY LIMITED (GB) 2008-02-14 WO disclosed
US-20080021058-A1 Pyrazolo '3,4-B! Pyridine Compounds And Their Use As Phosphodiesterase Type 4(Pde4) Inhibitors GLAXO GROUP LIMITED (GB) 2008-01-24 US disclosed
CN-101108809-A 1- (alkylaminoalkyl-pyrrolidine-/piperidinyl) -2, 2-diphenylacetamide derivatives as muscarinic receptor antagonists THERAVANCE INC (US) 2008-01-23 CN disclosed
US-7271197-B2 Phenethanolamine derivatives GLAXO GROUP LIMITED (GB) 2007-09-18 US disclosed
CN-1805927-A 1- (alkylaminoalkyl-pyrrolidine-/piperidinyl) -2, 2-diphenylacetamide derivatives as muscarinic receptor antagonists THERAVANCE INC (US) 2006-07-19 CN disclosed
EP-0361910-A1 Granular pharmaceutical formulations RHONE POULENC RORER LIMITED (GB) 1990-04-04 EP 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 (7 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-20090326003-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PDE4 INHIBITORS PDE4A, PDE4B, PDE12 ADRB2 310/4885ADRB1 155/4885CYP1A2 337/4885
US-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4C ADRB2 429/4885ADRB1 220/4885CYP1A2 131/4885
US-20080021058-A1 Pyrazolo '3,4-B! Pyridine Compounds And Their Use As Phosphodiesterase Type 4(Pde4) Inhibitors PDE4A, PDE4B, PDE3B ADRB2 86/4885ADRB1 51/4885CYP1A2 168/4885
US-20090325952-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS PDE4B, PDE4A, PDE12 ADRB2 50/4885ADRB1 29/4885CYP1A2 265/4885
US-20080058369-A1 Pyrazolo[3,4-b]pyridine compounds, and their use as PDE4 inhibitors PDE4A, PDE4B, PDE3B ADRB2 284/4885ADRB1 216/4885CYP1A2 578/4885
US-20090318494-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS PDE4B, PDE4A, PDE12 ADRB2 43/4885ADRB1 32/4885CYP1A2 198/4885
US-20120321565-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 17ALPHA-FURANYLESTERS OF 17BETA-CARBOTHIATE ANDROSTANES WITH A MUSCARINIC RECEPTOR ANTAGONIST CYP17A1, HSD17B7, NR5A1 ADRB2 74/4885ADRB1 48/4885CYP1A2 138/4885

“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.