SCHEMBL4741970

SCHEMBL4741970

CS(=O)(=O)OCCCOc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.56
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
USP2 O75604 1/20 0.52
LMNA P02545 1/20 0.52
MMP9 P14780 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
LTA4H P09960 2/20 0.48
HTR1B P28222 2/20 0.48
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PKM P14618 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46

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
SCHEMBL6230016 0.94 KCNA3 (0.59) KCNA3ALDH1A1KDM4EUSP2LMNA
SCHEMBL7976554 0.90 KCNA3 (0.52) KCNA3ALDH1A1LTA4HHTR1BMEN1
SCHEMBL10391332 0.90 KCNA3 (0.48) KCNA3ALDH1A1KDM4EUSP2LMNA
SCHEMBL24041852 0.87 CA1 (0.51) KCNA3DRD2DRD4DRD3
SCHEMBL3939161 0.85 PKM (0.47) KCNA3ALDH1A1KDM4EHTR1BMEN1
SCHEMBL18614957 0.84 SMN1; SMN2 (0.57) ALDH1A1KDM4ELMNAMEN1HTT
SCHEMBL9714281 0.84 LTA4H (0.58) KCNA3LTA4HMEN1HTTKMT2A
SCHEMBL17501637 0.83 MAPT (0.50) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL4631786 0.82 LMNA (0.54) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL22749055 0.81 KDM4E (0.48) ALDH1A1KDM4EUSP2LMNAMMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104302623-A Piperidine compound and pest-control use therefore SUMITOMO CHEMICAL CO 2015-01-21 CN disclosed
WO-2008096093-A1 OXAZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LTD. (GB) 2008-08-14 WO disclosed
WO-2008096093-A1 OXAZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LTD. (GB) 2008-08-14 WO disclosed
CN-100384836-C Novel cyclic amide derivative MITSUBISHI PHARMACEUTICALS INC (JP) 2008-04-30 CN disclosed
US-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US disclosed
CN-1426405-A Novel cyclic amide derivative MITSUBISHI PHARMACEUTICALS INC (JP) 2003-06-25 CN disclosed
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 US disclosed
US-4937268-A TREATMENT OF ASTHMA, CHRONIC BRONCHITIS GLAXO GROUP LIMITED (GB) 1990-06-26 US disclosed
EP-0286242-A2 Ethanolamine derivates, processes for their preparation and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1988-10-12 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 (1 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-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 KCNA3 1986/4885ALDH1A1 2504/4885KDM4E 2501/4885

“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.