SCHEMBL6041975

SCHEMBL6041975

Cc1ccc(S(=O)(=O)OCCOCC2COC(C)(C)O2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.49
ALDH1A1 P00352 6/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP3A4 P08684 3/20 0.36
TSHR P16473 3/20 0.36
CYP2D6 P10635 2/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL411517 0.89 CA2 (0.58) CA2ALDH1A1NPSR1MEN1KMT2A
SCHEMBL898388 0.89 CA2 (0.58) CA2ALDH1A1NPSR1MEN1KMT2A
SCHEMBL562062 0.89 CA2 (0.58) CA2ALDH1A1NPSR1MEN1KMT2A
SCHEMBL879857 0.86 CA2 (0.46) CA2ALDH1A1NPSR1CA12CA1
SCHEMBL3490631 0.86 CA2 (0.46) CA2ALDH1A1NPSR1CA12CA1
SCHEMBL2724163 0.86 CA2 (0.46) CA2ALDH1A1NPSR1CA12CA1
SCHEMBL23827433 0.84 CA2 (0.44) CA2ALDH1A1NPSR1CA12CA1
SCHEMBL9281309 0.84 CA2 (0.44) CA2ALDH1A1NPSR1CA12CA1
SCHEMBL7165666 0.83 CA2 (0.43) CA2ALDH1A1NPSR1CA12CA1
SCHEMBL31688849 0.83 CA2 (0.43) CA2ALDH1A1NPSR1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US 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

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 CA2 1585/4885ALDH1A1 2504/4885NPSR1 249/4885

“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.