SCHEMBL3054050

SCHEMBL3054050

CCOS(=O)(=O)[O-].C[S+]=C(N(C)C)N(C)C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
EPHX2 P34913 1/20 0.33
BLM P54132 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL3057036 0.90 RECQL (0.30) RECQLGLAHPGDTSHRMAPK1
SCHEMBL3038843 0.83 RECQL (0.32) RECQLGLAHPGDTSHRMAPK1
SCHEMBL3047070 0.83 RECQL (0.32) RECQLGLAHPGDTSHRMAPK1
SCHEMBL3045988 0.78 RECQL (0.40) RECQLGLAHPGDTSHRMAPK1
SCHEMBL3057042 0.78
SCHEMBL3056647 0.75 RECQL (0.45) RECQLGLAHPGDTSHRMAPK1
Zinc Ion SCHEMBL2065790 0.73 CA1 (0.48) RECQLGLAHPGDTSHRMAPK1
SCHEMBL17456590 0.73 CA1 (0.48) RECQLGLAHPGDTSHRMAPK1
SCHEMBL20637762 0.73 CA1 (0.48) RECQLGLAHPGDTSHRMAPK1
SCHEMBL11427865 0.73 CA1 (0.48) RECQLGLAHPGDTSHRMAPK1

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 4 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

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 RECQL 4712/4885GLA 2666/4885HPGD 4843/4885

“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.