SCHEMBL3211368

SCHEMBL3211368

CCCCCOS(=O)(=O)C(C)S(=O)(=O)OCCCCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.56
CA1 P00915 10/20 0.56
CA9 Q16790 8/20 0.56
CA12 O43570 3/20 0.54
CA7 P43166 3/20 0.54
CA14 Q9ULX7 3/20 0.54
CA3 P07451 2/20 0.54
CA4 P22748 2/20 0.54
CA6 P23280 2/20 0.54
CA5A P35218 2/20 0.54
CA5B Q9Y2D0 2/20 0.54
RECQL P46063 2/20 0.52
TSHR P16473 2/20 0.52
GLA P06280 1/20 0.52
HPGD P15428 1/20 0.52
MAPK1 P28482 1/20 0.52
EPHX2 P34913 1/20 0.52
BLM P54132 1/20 0.52
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL3205185 0.93 CA2 (0.54) CA2CA1CA9CA12CA7
SCHEMBL10911799 0.89 CA1 (0.48) CA2CA1CA9CA12CA7
SCHEMBL8710815 0.86 CA1 (0.56) CA2CA1CA9CA12CA7
SCHEMBL10912019 0.86 CA1 (0.44) CA2CA1CA9CA12CA7
SCHEMBL28443764 0.86 RECQL (0.63) CA2CA1CA9CA12CA7
SCHEMBL8714238 0.84 CA1 (0.57) CA2CA1CA9CA12CA7
SCHEMBL5519293 0.84 CA1 (0.57) CA2CA1CA9CA12CA7
SCHEMBL8711025 0.84 CA1 (0.57) CA2CA1CA9CA12CA7
SCHEMBL28224983 0.84 CA1 (0.57) CA2CA1CA9CA12CA7
SCHEMBL8710771 0.84 CA1 (0.57) CA2CA1CA9CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CA2 191/4885CA1 395/4885CA9 183/4885

“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.