SCHEMBL8310231

SCHEMBL8310231

CCCc1ccc(NS(C)(=O)=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
KDM4E B2RXH2 2/20 0.68
LMNA P02545 2/20 0.68
HTT P42858 2/20 0.68
ALDH1A1 P00352 1/20 0.68
CYP2C9 P11712 1/20 0.58
MAPT P10636 1/20 0.56
ATM Q13315 1/20 0.56
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
KEAP1 Q14145 1/20 0.52
KCNH2 Q12809 2/20 0.51
CACNA1F O60840 1/20 0.51
CHRM2 P08172 1/20 0.51
ACHE P22303 1/20 0.51
AGTR1 P30556 1/20 0.51
DRD3 P35462 1/20 0.51
CACNA1D Q01668 1/20 0.51
CACNA1S Q13698 1/20 0.51

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
SCHEMBL3336139 0.89 KDM4E (0.73) HPGDSMN1; SMN2KDM4ELMNAHTT
SCHEMBL16976564 0.85 KDM4E (0.65) HPGDSMN1; SMN2KDM4ELMNAHTT
SCHEMBL9386639 0.85 KDM4E (0.59) HPGDSMN1; SMN2KDM4ELMNAHTT
SCHEMBL20245278 0.84 HPGD (0.71) HPGDSMN1; SMN2KDM4ELMNAHTT
SCHEMBL8866902 0.84 HPGD (0.68) HPGDSMN1; SMN2KDM4ELMNAHTT
SCHEMBL4445364 0.84 KDM4E (0.58) HPGDSMN1; SMN2KDM4ELMNAHTT
SCHEMBL179127 0.83 HPGD (0.73) HPGDSMN1; SMN2KDM4ELMNAHTT
SCHEMBL1919330 0.82 HPGD (0.66) HPGDSMN1; SMN2KDM4ELMNAHTT
SCHEMBL9079043 0.82 HPGD (0.66) HPGDSMN1; SMN2KDM4ELMNAHTT
SCHEMBL7847086 0.82 HPGD (0.66) HPGDSMN1; SMN2KDM4ELMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3332645-A1 USE OF SUBSTITUTED PYRIMIDINE DIONES OR THEIR SALTS AS AGENTS TO COMBAT ABIOTIC PLANT STRESS Bayer Cropscience AG (DE) 2018-06-13 EP disclosed
CN-104769021-A Substrate for flexible device, flexible device and method for producing same, laminate and method for producing same, and resin composition ASAHI KASEI E MATERIALS CORP 2015-07-08 CN disclosed
US-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 US disclosed
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 US disclosed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 US disclosed
EP-1539753-B1 PYRAZOLO(3,4-B)PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LTD (GB) 2009-09-09 EP disclosed
US-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED 2008-07-24 US disclosed
US-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED 2008-07-24 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 US disclosed
US-7312200-B2 9-ketospinosyn derivatives BAYER CROPSCIENCE AG (DE) 2007-12-25 US disclosed
US-7270703-B2 Metallized dyes having colorfastness, heat and ozone resistance, used for thermal printing, color filters, toners, liquid crystal displays and coloring fibers FUJIFILM CORPORATION (JP) 2007-09-18 US disclosed
WO-2004056823-A1 PYRAZOLO[3,4-b]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-08 WO disclosed
WO-2004024728-A2 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-03-25 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-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors PDE5A, PDE3B, PDE4A HPGD 276/4885SMN1; SMN2 4454/4885KDM4E 818/4885
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK HPGD 18/4885SMN1; SMN2 1371/4885KDM4E 3026/4885
US-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B HPGD 2497/4885SMN1; SMN2 3561/4885KDM4E 1962/4885

“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.