SCHEMBL4065055

SCHEMBL4065055

Cc1ccc(S(=O)(=O)OCC[C@@H]2CO2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
ALDH1A1 P00352 3/20 0.41
PKM P14618 2/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 2/20 0.41
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
STAT3 P40763 1/20 0.39
CYP2D6 P10635 3/20 0.38
CYP1A2 P05177 1/20 0.38
SLC12A2 P55011 1/20 0.38
SLC12A5 Q9H2X9 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL6221876 1.00 KMT2A (0.49) KMT2AMEN1CA12CA1CA9
SCHEMBL2098311 1.00 KMT2A (0.49) KMT2AMEN1CA12CA1CA9
SCHEMBL9484299 0.89 MEN1 (0.46) KMT2AMEN1CA12CA1CA9
SCHEMBL14975401 0.88 SLC12A2 (0.45) KMT2AMEN1CA12CA1CA9
SCHEMBL14975403 0.88 SLC12A2 (0.45) KMT2AMEN1CA12CA1CA9
SCHEMBL2929267 0.84 SLC12A2 (0.54) KMT2AMEN1ALDH1A1GAALMNA
SCHEMBL439062 0.83 PRMT5 (0.54) KMT2AMEN1CA12CA1CA9
SCHEMBL439063 0.83 PRMT5 (0.54) KMT2AMEN1CA12CA1CA9
SCHEMBL450879 0.83 PRMT5 (0.54) KMT2AMEN1CA12CA1CA9
SCHEMBL14239450 0.83 SLC12A2 (0.50) KMT2AMEN1ALDH1A1GAALMNA

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
CN-112457232-A Preparation method of vernakalant hydrochloride 北京哈三联科技有限责任公司 2021-03-09 CN disclosed
EP-2061776-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE Wyeth a Corporation of the State of Delaware (US) 2009-05-27 EP disclosed
US-20080194654-A1 HYDROXY-SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-08-14 US disclosed
WO-2008073459-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 WO 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-20080194654-A1 HYDROXY-SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, TPH1 KMT2A 1406/4885MEN1 3922/4885CA12 3822/4885

“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.