SCHEMBL5075666

SCHEMBL5075666

CCCC(C)CS(=O)(=O)Br

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
TP53 P04637 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL11350925 0.79 TSHR (0.43) TSHRTP53CA12CA1CA2
SCHEMBL5076450 0.79
SCHEMBL6729264 0.77 TSHR (0.42) TSHRTP53CA12CA1CA2
SCHEMBL17319467 0.77 TSHR (0.42) TSHRTP53CA12CA1CA2
SCHEMBL2233250 0.77 TSHR (0.42) TSHRTP53CA12CA1CA2
SCHEMBL23805180 0.75 TSHR (0.40) TSHRTP53CA12CA1CA2
SCHEMBL225628 0.75 CA2 (0.40) TSHRTP53CA12CA1CA2
SCHEMBL21124793 0.75 CA2 (0.40) TSHRTP53CA12CA1CA2
SCHEMBL5076462 0.75 TSHR (0.40) TSHRTP53CA12CA1CA2
SCHEMBL5075620 0.75 TSHR (0.40) TSHRTP53CA12CA1CA2

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
CN-103833723-B The manufacture method of cyclic sulfonic acid ester and intermediate thereof 和光纯药工业株式会社 2016-08-17 CN disclosed
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
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
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
CN-102471305-A Process for producing cyclic sulfonic acid ester and intermediate thereof WAKO PURE CHEM IND LTD 2012-05-23 CN 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 TSHR 1305/4885TP53 4627/4885CA12 282/4885
US-20120130089-A1 METHOD FOR PRODUCING CYCLIC SULFONIC ACID ESTER AND INTERMEDIATE THEREOF STS, TST, SULT1A1 TSHR 1305/4885TP53 4627/4885CA12 282/4885
US-20040242929-A1 Process for production of acid anhydride CA4, CA9, CA6 TSHR 565/4885TP53 4087/4885CA12 6/4885

“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.