SCHEMBL6578672

SCHEMBL6578672

O=S(=O)(O)c1ccc(C2CCCCO2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.44
HRH3 Q9Y5N1 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.40
PRKAG1 P54619 8/20 0.39
PRKAA1 Q13131 8/20 0.39
PRKAB1 Q9Y478 8/20 0.39
PRKAA2 P54646 7/20 0.39
PRKAB2 O43741 6/20 0.39
PRKAG3 Q9UGI9 6/20 0.39
PRKAG2 Q9UGJ0 6/20 0.39
LMNA P02545 2/20 0.38
PTGES2 Q9H7Z7 1/20 0.38
HTT P42858 1/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
NT5E P21589 1/20 0.37
SLC6A9 P48067 1/20 0.37
HTR6 P50406 1/20 0.36
IDH2 P48735 1/20 0.36

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
SCHEMBL5068381 0.89 TSHR (0.48) KCNH2HRH3SMN1; SMN2PRKAG1PRKAA1
SCHEMBL19128526 0.83 KCNH2 (0.41) KCNH2HRH3SMN1; SMN2PRKAG1PRKAA1
SCHEMBL6283941 0.83 KMT2A (0.44) KCNH2HRH3PTGES2SLC6A9
SCHEMBL19126908 0.83 PTGES2 (0.45) KCNH2HRH3PTGES2ALDH1A1
SCHEMBL19126922 0.83 KCNH2 (0.41) KCNH2HRH3SMN1; SMN2PRKAG1PRKAA1
SCHEMBL19127651 0.83 KCNH2 (0.41) KCNH2HRH3SMN1; SMN2PRKAG1PRKAA1
SCHEMBL19662088 0.75 KCNH2 (0.50) KCNH2HRH3SMN1; SMN2PRKAG1PRKAA1
SCHEMBL730751 0.75 PRKAG1 (0.48) KCNH2HRH3PRKAG1PRKAA1PRKAB1
SCHEMBL14537256 0.74 LMNA (0.61) SMN1; SMN2LMNAPTGES2HTTTSHR
SCHEMBL13374166 0.73 CYP2C9 (0.49) KCNH2HRH3PRKAG1PRKAA1PRKAB1

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
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 (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-20030004359-A1 Processes for producing tetrahydropyranyl-4-sulfonates and 4-aminotetrahydropyran compound HPD, DHPS, FDPS KCNH2 2363/4885HRH3 1025/4885SMN1; SMN2 3422/4885

“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.