SCHEMBL3050404

SCHEMBL3050404

CCCCCOS(=O)(=O)OCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 15/20 0.58
CA2 P00918 15/20 0.58
CA9 Q16790 12/20 0.58
CA12 O43570 3/20 0.56
CA7 P43166 3/20 0.56
CA14 Q9ULX7 3/20 0.56
CA3 P07451 2/20 0.56
CA4 P22748 2/20 0.56
CA6 P23280 2/20 0.56
CA5A P35218 2/20 0.56
CA5B Q9Y2D0 2/20 0.56
RECQL P46063 2/20 0.54
TSHR P16473 2/20 0.54
GLA P06280 1/20 0.54
HPGD P15428 1/20 0.54
MAPK1 P28482 1/20 0.54
EPHX2 P34913 1/20 0.54
BLM P54132 1/20 0.54
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL28008171 0.98 CA1 (0.59) CA1CA2CA9CA12CA7
SCHEMBL3047127 0.98 CA1 (0.59) CA1CA2CA9CA12CA7
SCHEMBL28482169 0.98 CA1 (0.59) CA1CA2CA9CA12CA7
SCHEMBL11832630 0.98 CA1 (0.59) CA1CA2CA9CA12CA7
SCHEMBL1049786 0.98 CA1 (0.59) CA1CA2CA9CA12CA7
SCHEMBL7718044 0.98 CA1 (0.59) CA1CA2CA9CA12CA7
SCHEMBL3053415 0.98 CA1 (0.59) CA1CA2CA9CA12CA7
SCHEMBL29181652 0.98 CA1 (0.59) CA1CA2CA9CA12CA7
SCHEMBL188421 0.98 CA1 (0.59) CA1CA2CA9CA12CA7
SCHEMBL27572317 0.98 CA1 (0.59) CA1CA2CA9CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222580-A1 Process For The Preparation Of Onium Alkylsulfates Having A Low Halide Content MERCK PATENT GMBH (DE) 2010-09-02 US disclosed
EP-1828142-B1 METHOD FOR PRODUCING ONIUM ALKYL SULFATES WITH A LOW HALOGENIDE CONTENT MERCK PATENT GMBH (DE) 2010-06-02 EP disclosed
EP-1828142-A1 METHOD FOR PRODUCING ONIUM ALKYL SULFATES WITH A LOW HALOGENIDE CONTENT Merck Patent GmbH (DE) 2007-09-05 EP disclosed
WO-2006063654-A1 METHOD FOR PRODUCING ONIUM ALKYL SULFATES WITH A LOW HALOGENIDE CONTENT MERCK PATENT GMBH (DE) 2006-06-22 WO disclosed
CN-1233643-C Ramification of a compound of medication as well as preparation method and application LISITE PHARMACY CO LTD CHENGDU (CN) 2005-12-28 CN disclosed
CN-1519239-A Ramification of a compound of medication as well as preparation method and application 成都力思特制药股份有限公司 2004-08-11 CN 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-20100222580-A1 Process For The Preparation Of Onium Alkylsulfates Having A Low Halide Content STS, MRPS35, ARSA CA1 3642/4885CA2 2132/4885CA9 1665/4885

“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.