SCHEMBL4658490

SCHEMBL4658490

O=[N+]([O-])c1ccccc1S(=O)(=O)OC[C@@H]1CO1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.60
WDR77 Q9BQA1 1/20 0.60
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.50
ACHE P22303 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 5/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.41
F2 P00734 1/20 0.41

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
SCHEMBL10500771 1.00 PRMT5 (0.60) PRMT5WDR77KMT2AMEN1ACHE
SCHEMBL3901109 1.00 PRMT5 (0.60) PRMT5WDR77KMT2AMEN1ACHE
SCHEMBL27568731 0.87 PRMT5 (0.58) PRMT5WDR77KMT2AMEN1ACHE
SCHEMBL27548998 0.87 PRMT5 (0.58) PRMT5WDR77KMT2AMEN1ACHE
SCHEMBL9304736 0.84 PRMT5 (0.44) PRMT5WDR77KMT2AMEN1ACHE
SCHEMBL9546855 0.84 PRMT5 (0.44) PRMT5WDR77KMT2AMEN1ACHE
SCHEMBL7470093 0.82 PRMT5 (0.67) PRMT5WDR77KMT2AMEN1PKM
SCHEMBL7480912 0.82 PRMT5 (0.76) PRMT5WDR77KMT2AMEN1ACHE
SCHEMBL7537706 0.81 LMNA (0.47) PRMT5WDR77KMT2AMEN1ACHE
SCHEMBL8115571 0.79 PRMT5 (0.51) PRMT5WDR77KMT2AMEN1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720855-A4 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORP (US) 2008-12-17 EP disclosed
US-20070185152-A1 Inhibitors of akt activity SMITHKLINE BEECHAM CORPORATION 2007-08-09 US disclosed
EP-1720855-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-11-15 EP disclosed
WO-2005085227-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-09-15 WO disclosed
EP-0157623-B1 OPTICALLY ACTIVE ISOMERS OF BENZOPYRAN DERIVATIVES USEFUL FOR TREATING CARDIOVASCULAR DISEASE KOWA COMPANY, LTD. (JP) 1989-03-22 EP disclosed
US-4678803-A CARDIOVASCULAR DISORDERS KOWA COMPANY, LTD. (JP) 1987-07-07 US disclosed
EP-0157623-A2 Optically active isomers of benzopyran derivatives useful for treating cardiovascular disease KOWA COMPANY, LTD. (JP) 1985-10-09 EP disclosed
EP-0071251-B1 NOVEL AMINOGLYCOSIDES AND USE THEREOF ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1985-04-24 EP disclosed
US-4438107-A Aminoglycosides and use thereof KOWA COMPANY, LTD. (JP) 1984-03-20 US disclosed
EP-0071251-A1 Novel aminoglycosides and use thereof ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1983-02-09 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-20070185152-A1 Inhibitors of akt activity AKT1, AKT1S1, AKT2 PRMT5 2284/4885WDR77 2278/4885KMT2A 1897/4885

“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.