SCHEMBL3205174

SCHEMBL3205174

CC(S(=O)(=O)O)S(=O)(=O)OCCCCOS(=O)(=O)C(C)S(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MMP9 P14780 1/20 0.42
ALOX15 P16050 1/20 0.42
CA1 P00915 16/20 0.37
CA2 P00918 16/20 0.37
CA9 Q16790 15/20 0.37
CA12 O43570 5/20 0.36
CA7 P43166 5/20 0.36
CA14 Q9ULX7 5/20 0.36
CA3 P07451 4/20 0.36
CA4 P22748 4/20 0.36
CA6 P23280 4/20 0.36
CA5A P35218 4/20 0.36
CA5B Q9Y2D0 4/20 0.36
RECQL P46063 2/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL3211362 0.98 TSHR (0.41) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL3195334 0.95 KDM4E (0.37) TSHRKDM4EUSP2ALDH1A1LMNA
1,4-Butanediol SCHEMBL10912015 0.94 TSHR (0.38) TSHRKDM4EUSP2ALDH1A1LMNA
1,5-Pentanediol SCHEMBL10911792 0.92 TSHR (0.37) TSHRKDM4EUSP2ALDH1A1LMNA
1,3-Propanediol SCHEMBL10912400 0.90 KDM4E (0.33) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL14959301 0.84 CA1 (0.43) CA1CA2CA9
SCHEMBL2572877 0.81 CA1 (0.31) CA1CA2CA9
SCHEMBL3210829 0.79 CA1 (0.39) CA1CA2CA9
SCHEMBL10912019 0.78 CA1 (0.44) TSHRALDH1A1LMNACA1CA2
SCHEMBL3211368 0.77 CA2 (0.56) TSHRKDM4EUSP2ALDH1A1LMNA

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
US-11742523-B2 Electrolyte solutions ASCEND PERFORMANCE MATERIALS OPERATIONS LLC (US) 2023-08-29 US disclosed
US-20210242503-A1 ELECTROLYTE SOLUTIONS ASCEND PERFORMANCE MATERIALS OPERATIONS LLC (US) 2021-08-05 US disclosed
EP-2067770-B1 PROCESS FOR PRODUCTION OF SULFONIC ACID ESTER WAKO PURE CHEM IND LTD (JP) 2017-04-12 EP disclosed
US-8269038-B2 Process for production of sulfonic acid ester WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-09-18 US disclosed
US-20100041916-A1 PROCESS FOR PRODUCTION OF SULFONIC ACID ESTER WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-02-18 US disclosed
EP-2067770-A1 PROCESS FOR PRODUCTION OF SULFONIC ACID ESTER Wako Pure Chemical Industries, Ltd. (JP) 2009-06-10 EP disclosed
US-4950768-A ANTICARCINOGENIC AGENTS CRONYN MARSHALL W (US) 1990-08-21 US disclosed
EP-0168478-B1 CANCER CHEMOTHERAPEUTIC CYCLIC AND ACYCLIC DISULFONIC ESTER COMPOUNDS, METHOD OF USE THEREFOR, AND INTERMEDIATES CRONYN, Marshall W. (US) 1989-04-05 EP disclosed
EP-0168478-A4 CANCER CHEMOTHERAPEUTIC CYCLIC AND ACYCLIC DISULFONIC ESTER COMPOUNDS, METHOD OF USE THEREFOR, AND INTERMEDIATES. CRONYN MARSHALL W 1986-11-07 EP disclosed
EP-0168478-A1 CANCER CHEMOTHERAPEUTIC CYCLIC AND ACYCLIC DISULFONIC ESTER COMPOUNDS, METHOD OF USE THEREFOR, AND INTERMEDIATES. CRONYN MARSHALL W 1986-01-22 EP disclosed
WO-1985003075-A1 CANCER CHEMOTHERAPEUTIC CYCLIC AND ACYCLIC DISULFONIC ESTER COMPOUNDS, METHOD OF USE THEREFOR, AND INTERMEDIATES CRONYN MARSHALL W 1985-07-18 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-20100041916-A1 PROCESS FOR PRODUCTION OF SULFONIC ACID ESTER SULT1A1, SULT2A1, STS TSHR 1491/4885KDM4E 3768/4885USP2 2671/4885

“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.