SCHEMBL2807856

SCHEMBL2807856

C1CCCCCCCCC1.C1CCCCCCCCC1.OC(=S)SC1CCCCCCCCC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.40
PHGDH O43175 3/20 0.36
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
FAAH O00519 1/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL7741300 1.00 MGLL (0.40) MGLLPHGDHALDH1A1TP53CYP3A4
SCHEMBL11444353 0.81 MGLL (0.39) MGLLPHGDHALDH1A1TP53CYP3A4
SCHEMBL3074321 0.80 MGLL (0.42) MGLLPHGDHALDH1A1TP53CYP3A4
SCHEMBL27685214 0.78
SCHEMBL2583853 0.77 MGLL (0.38) MGLLPHGDHALDH1A1TP53CYP3A4
SCHEMBL27565787 0.76 MGLL (0.39) MGLLPHGDHALDH1A1TP53CYP3A4
SCHEMBL7742834 0.75 MGLL (0.34) MGLLPHGDHALDH1A1TP53CYP3A4
SCHEMBL7742837 0.75 MGLL (0.34) MGLLPHGDHALDH1A1TP53CYP3A4
SCHEMBL11040637 0.74 CA1 (0.38) MGLLPHGDHALDH1A1TP53CYP3A4
Ammonia Solution, Strong SCHEMBL20601168 0.74 MGLL (0.37) MGLLPHGDHALDH1A1TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230109020-A1 Nucleic Acid and Other Compositions and Methods for the Modulation of Cell Membranes CAMBRIDGE ENTERPRISE LIMITED (GB) 2023-04-06 US disclosed
US-20190127682-A1 Nucleic Acid and Other Compositions and Methods for the Modulation of Cell Membranes NATIONAL SCIENCE FOUNDATION 2019-05-02 US disclosed
US-8435966-B2 Associations of xanthogenates and cyclodextrins, and their use BIOSPHINGS AG (DE) 2013-05-07 US disclosed
US-20120328602-A1 COMPOSITIONS AND METHODS FOR TREATING CONDITIONS ASSOCIATED WITH CERAMIDE BIOSYNTHESIS SAINT LOUIS UNIVERSITY (US) 2012-12-27 US disclosed
US-20100240606-A1 ASSOCIATIONS OF XANTHOGENATES AND CYCLODEXTRINS, AND THEIR USE BIOSPHINGS AG (DE) 2010-09-23 US disclosed
US-20100086543-A1 COMPOSITIONS AND METHODS FOR TREATING CONDITIONS ASSOCIATED WITH CERAMIDE BIOSYNTHESIS SAINT LOUIS UNIVERSITY (US) 2010-04-08 US disclosed
CN-101522612-A Associations of xanthogenates and cyclodextrins, and their use BIOSPHINGS AG (DE) 2009-09-02 CN disclosed
EP-2001840-A1 ASSOCIATIONS OF XANTHOGENATES AND CYCLODEXTRINS, AND THEIR USE BioSphings AG (DE) 2008-12-17 EP disclosed
WO-2008122037-A2 INHIBITORS OF THE CERAMIDE METABOLIC PATHWAY AS ADJUNCTS TO OPIATES SAINT LOUIS UNIVERSITY (US) 2008-10-09 WO disclosed
WO-2007112828-A1 ASSOCIATIONS OF XANTHOGENATES AND CYCLODEXTRINS, AND THEIR USE BIOSPHINGS AG (DE) 2007-10-11 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 (3 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-20230109020-A1 Nucleic Acid and Other Compositions and Methods for the Modulation of Cell Membranes ABHD16A, PHOSPHO1, CLPTM1L MGLL 990/4885PHGDH 2286/4885ALDH1A1 4722/4885
US-20100240606-A1 ASSOCIATIONS OF XANTHOGENATES AND CYCLODEXTRINS, AND THEIR USE HLA-DRB1, CXCR3, ANTXR2 MGLL 2863/4885PHGDH 4095/4885ALDH1A1 4475/4885
US-20190127682-A1 Nucleic Acid and Other Compositions and Methods for the Modulation of Cell Membranes ABHD16A, PHOSPHO1, CLPTM1L MGLL 990/4885PHGDH 2286/4885ALDH1A1 4722/4885

“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.