SCHEMBL5070934

SCHEMBL5070934

O=S(=O)(O)c1ccc(CC2CCCCO2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
NR2F2 P24468 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 3/20 0.41
CXCR4 P61073 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
HTT P42858 3/20 0.40
KDM4E B2RXH2 1/20 0.40
SLC12A2 P55011 1/20 0.39
SLC12A5 Q9H2X9 1/20 0.39

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
SCHEMBL965091 0.81 KMT2A (0.46) ALDH1A1SMN1; SMN2NR2F2RAB9ALMNA
SCHEMBL2275992 0.80 LMNA (0.42) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL14097842 0.79 ESR1 (0.43) SMN1; SMN2RAB9AKMT2AGAA
SCHEMBL10855433 0.78 SLC12A2 (0.51) ALDH1A1SMN1; SMN2NR2F2RAB9AKMT2A
SCHEMBL8763564 0.77 MEN1 (0.46) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL8024954 0.77 KMT2A (0.48) ALDH1A1KMT2AMEN1HTT
SCHEMBL5070898 0.77 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL24763632 0.76 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2RAB9ALMNAMAPT
SCHEMBL15371049 0.76 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2RAB9ALMNAKMT2A
SCHEMBL2184433 0.76 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2RAB9ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365215-B2 Process for preparing 4-aminotetrahydropyran compound and an acid salt thereof, synthetic intermediate thereof and process for preparing the same UBE INDUSTRIES, LTD. (JP) 2008-04-29 US disclosed
US-20070106083-A1 Process for preparing 4-aminotetrahydropyran compound and an acid salt thereof, synthetic intermediate thereof and process for preparing the same UBE INDUSTRIES, LTD. (JP) 2007-05-10 US disclosed
EP-1661894-A1 PROCESS FOR PRODUCTION OF 4-AMINOTETRAHYDROPYRANS AND SALTS THEREOF WITH ACIDS, INTERMEDIATES FOR THE PROCESS, AND PROCESS FOR PRODUCTION THEREOF Ube Industries, Ltd. (JP) 2006-05-31 EP disclosed
EP-1247807-B1 PROCESSES FOR PRODUCING TETRAHYDROPYRANYL-4-SULFONATE AND 4-AMINOTETRAHYDROPYRAN COMPOUND UBE INDUSTRIES (JP) 2004-04-28 EP disclosed
US-6653489-B2 Reacting 3-buten-1-ol with a formaldehyde compound and an organic sulfonic acid UBE INDUSTRIES, INC. (JP) 2003-11-25 US disclosed
US-20030004359-A1 Processes for producing tetrahydropyranyl-4-sulfonates and 4-aminotetrahydropyran compound UBE INDUSTRIES, LTD. (JP) 2003-01-02 US disclosed
EP-1247807-A1 PROCESSES FOR PRODUCING TETRAHYDROPYRANYL-4-SULFONATE AND 4-AMINOTETRAHYDROPYRAN COMPOUND Ube Industries, Ltd. (JP) 2002-10-09 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 (2 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-20030004359-A1 Processes for producing tetrahydropyranyl-4-sulfonates and 4-aminotetrahydropyran compound HPD, DHPS, FDPS ALDH1A1 158/4885SMN1; SMN2 3422/4885NR2F2 3330/4885
US-20070106083-A1 Process for preparing 4-aminotetrahydropyran compound and an acid salt thereof, synthetic intermediate thereof and process for preparing the same PAH, HPD, REN ALDH1A1 875/4885SMN1; SMN2 3594/4885NR2F2 1273/4885

“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.