SCHEMBL5079816

SCHEMBL5079816

Cc1cccc(S(=O)(=O)Br)c1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
ACHE P22303 1/20 0.48
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 1/20 0.44
EDNRA P25101 2/20 0.44
EDNRB P24530 1/20 0.44
FBP1 P09467 8/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.44
MMP2 P08253 1/20 0.44
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL10451410 0.83 CA1 (0.55) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL822302 0.81 KMT2A (0.59) KMT2AACHEMEN1ALDH1A1FBP1
SCHEMBL29468572 0.81 KMT2A (0.59) KMT2AACHEMEN1ALDH1A1FBP1
M-Xylene SCHEMBL27858710 0.80 ACHE (0.67) KMT2AACHEMEN1ALDH1A1MAPK1
SCHEMBL15607666 0.79 KMT2A (0.57) KMT2AACHEMEN1ALDH1A1MAPT
SCHEMBL330676 0.79 KMT2A (0.57) KMT2AACHEMEN1ALDH1A1EDNRA
SCHEMBL12808 0.79 KMT2A (0.57) KMT2AACHEMEN1ALDH1A1FBP1
Hydrochloric Acid SCHEMBL11279258 0.79 KMT2A (0.57) KMT2AACHEMEN1ALDH1A1FBP1
SCHEMBL754780 0.78 KMT2A (0.52) KMT2AACHEMEN1ALDH1A1MAPK1
SCHEMBL92035 0.78 KMT2A (0.52) KMT2AACHEMEN1ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2757102-B1 Intermediate for producing a cyclic sulfonic acid ester WAKO PURE CHEM IND LTD (JP) 2016-03-23 EP disclosed
US-8969591-B2 Method for producing cyclic sulfonic acid ester and intermediate thereof WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2015-03-03 US disclosed
EP-2463281-B1 METHOD FOR PRODUCING CYCLIC SULFONIC ACID ESTER AND INTERMEDIATE THEREOF WAKO PURE CHEM IND LTD (JP) 2014-10-22 EP disclosed
EP-2757102-A1 1,3-propanesultone derivative useful in the preparation of a 1,3-propenesultone derivative Wako Pure Chemical Industries, Ltd. (JP) 2014-07-23 EP disclosed
CN-103833723-A METHOD FOR PRODUCING CYCLIC SULFONIC ACID ESTER AND INTERMEDIATE THEREOF WAKO PURE CHEM IND LTD 2014-06-04 CN disclosed
US-20140142324-A1 METHOD FOR PRODUCING CYCLIC SULFONIC ACID ESTER AND INTERMEDIATE THEREOF WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-05-22 US disclosed
US-8673963-B2 Method for producing cyclic sulfonic acid ester and intermediate thereof WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-03-18 US disclosed
CN-102471305-B Process for producing cyclic sulfonic acid ester and intermediate thereof WAKO PURE CHEM IND LTD 2014-01-29 CN disclosed
EP-2463281-A1 METHOD FOR PRODUCING CYCLIC SULFONIC ACID ESTER AND INTERMEDIATE THEREOF Wako Pure Chemical Industries, Ltd. (JP) 2012-06-13 EP disclosed
US-20120130089-A1 METHOD FOR PRODUCING CYCLIC SULFONIC ACID ESTER AND INTERMEDIATE THEREOF WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-05-24 US disclosed
EP-1413572-B1 PROCESS FOR PRODUCING ACID ANHYDRIDE TOKUYAMA CORP (JP) 2008-10-08 EP disclosed
US-7220881-B2 Process for production of acid anhydride TOKUYAMA CORPORATION (JP) 2007-05-22 US disclosed
US-20040242929-A1 Process for production of acid anhydride TOKUYAMA CORPORATION (JP) 2004-12-02 US disclosed
EP-1413572-A1 PROCESS FOR PRODUCING ACID ANHYDRIDE Tokuyama Corporation (JP) 2004-04-28 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 (3 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-20140142324-A1 METHOD FOR PRODUCING CYCLIC SULFONIC ACID ESTER AND INTERMEDIATE THEREOF STS, TST, SULT1A1 KMT2A 2802/4885ACHE 2736/4885MEN1 3976/4885
US-20120130089-A1 METHOD FOR PRODUCING CYCLIC SULFONIC ACID ESTER AND INTERMEDIATE THEREOF STS, TST, SULT1A1 KMT2A 2802/4885ACHE 2736/4885MEN1 3976/4885
US-20040242929-A1 Process for production of acid anhydride CA4, CA9, CA6 KMT2A 647/4885ACHE 1515/4885MEN1 1166/4885

“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.