SCHEMBL6112923

SCHEMBL6112923

Cc1ccc(C)c(S(=O)(=O)I)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
TSHR P16473 2/20 0.47
GAA P10253 2/20 0.47
HTT P42858 3/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 1/20 0.45
KDM4E B2RXH2 1/20 0.44
F2 P00734 1/20 0.44
MAPT P10636 1/20 0.44
XBP1 P17861 1/20 0.44
EDNRB P24530 2/20 0.42
EDNRA P25101 2/20 0.42
UBE2N P61088 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 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
SCHEMBL6112926 0.82 ALDH1A1 (0.47) ALDH1A1GAAHTTKMT2ASMN1; SMN2
SCHEMBL7112755 0.81 UBE2N (0.57) ALDH1A1TSHRGAAHTTKMT2A
SCHEMBL801935 0.79 ALDH1A1 (0.49) ALDH1A1TSHRGAAHTTKMT2A
SCHEMBL16712195 0.79 ALDH1A1 (0.49) ALDH1A1TSHRGAAHTTKMT2A
SCHEMBL6113216 0.77 ALDH1A1 (0.47) ALDH1A1TSHRGAAHTTKMT2A
SCHEMBL742725 0.77 KMT2A (0.49) ALDH1A1TSHRGAAHTTKMT2A
SCHEMBL1299062 0.77 ALDH1A1 (0.56) ALDH1A1TSHRGAAKMT2ASMN1; SMN2
SCHEMBL246828 0.77 ALDH1A1 (0.51) ALDH1A1TSHRGAAHTTKMT2A
SCHEMBL29642997 0.77 KMT2A (0.49) ALDH1A1TSHRGAAHTTKMT2A
SCHEMBL1299059 0.77 ALDH1A1 (0.47) ALDH1A1TSHRGAAHTTKMT2A

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 11 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 ALDH1A1 131/4885TSHR 1305/4885GAA 4276/4885
US-20120130089-A1 METHOD FOR PRODUCING CYCLIC SULFONIC ACID ESTER AND INTERMEDIATE THEREOF STS, TST, SULT1A1 ALDH1A1 131/4885TSHR 1305/4885GAA 4276/4885

“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.