SCHEMBL6814504

SCHEMBL6814504

CCOC(=S)SSSSC(=S)OCC

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
CYP2D6 P10635 1/20 0.46
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC10 Q969S8 2/20 0.33
HDAC11 Q96DB2 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC9 Q9UKV0 2/20 0.33
HDAC5 Q9UQL6 2/20 0.33
LMNA P02545 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ALOX15 P16050 2/20 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
Dixanthogen SCHEMBL37053 0.88 ALDH1A1 (0.50) ALDH1A1CYP2D6CA12CA1CA2
Dixanthogen SCHEMBL1415905 0.86 ALDH1A1 (0.48) ALDH1A1CYP2D6CA12CA1CA2
Dixanthogen SCHEMBL11408546 0.86 ALDH1A1 (0.48) ALDH1A1CYP2D6CA12CA1CA2
Dixanthogen SCHEMBL7105038 0.83 ALDH1A1 (0.46) ALDH1A1CYP2D6CA12CA1CA2
SCHEMBL11684235 0.82 ALDH1A1 (0.38) ALDH1A1CYP2D6CA12CA1CA2
SCHEMBL11830672 0.79 ALDH1A1 (0.43) ALDH1A1CYP2D6CA12CA1CA2
SCHEMBL11822867 0.79 ALDH1A1 (0.43) ALDH1A1CYP2D6CA12CA1CA2
SCHEMBL11685818 0.79 ALDH1A1 (0.36) ALDH1A1CYP2D6CA12CA1CA2
Dixanthogen SCHEMBL9840346 0.77 ALDH1A1 (0.47) ALDH1A1CYP2D6CA12CA1CA2
SCHEMBL30901364 0.77 ALDH1A1 (0.38) ALDH1A1CYP2D6CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6809195-B1 COMPRISES A MODIFIED PHOSPHORAMIDITE PROTOCOL IN WHICH OXIDATION AND CAPPING STEPS ARE COMBINED INTO A SINGLE STEP; INCREASED EFFICIENCY; SOLID PHASE SYNTHESIS ISIS PHARMACEUTICALS, INC. 2004-10-26 US disclosed
US-20040198972-A1 Processes for the preparation of oligonucleotides ISIS PHARMACEUTICALS, INC. 2004-10-07 US disclosed
US-6762281-B2 GENERATING PREFERENTIAL OLIGOMERS; GENERATE OLIGOMER, DEPROTECT, EXPOSE TO PHOSPHOROUS, OXIDIZE, EXPOSE TO SULFUR, CLEAVE, RECOVER PRODUCT ISIS PHARMACEUTICALS, INC. 2004-07-13 US disclosed
US-6559279-B1 Generation of peptide linked oligomers; generate solid support, expose to deprotecting agent, incubate with nucleoside, cap, cleave and recover peptide derivative ISIS PHARMACEUTICALS, INC. 2003-05-06 US disclosed
US-20020156235-A1 Process for preparing peptide derivatized oligomeric compounds IONIS PHARMACEUTICALS, INC. 2002-10-24 US disclosed
US-6384209-B1 HIGHLY EFFIENT PROCESS BY CONTACTING OLIGONUCLEOTIDE HAVING INTERNUCLEOSIDE LINKAGE OF A PHOSPHOROUS III ATOM WITH A REAGENT OF DEFINED STRUCTURE; REAGENTS ARE INEXPENSIVE TO MAKE AND STABLE IN STORAGE AVECIA BIOTECHNOLOGY, INC. (GB) 2002-05-07 US disclosed
WO-2002020544-A1 PROCESS FOR PREPARING PEPTIDE DERIVATIZED OLIGOMERIC COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 2002-03-14 WO disclosed
WO-1998008809-A1 NOVEL SULFUR TRANSFER REAGENTS FOR OLIGONUCLEOTIDE SYNTHESIS HYBRIDON, INC. (US) 1998-03-05 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 (2 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-20020156235-A1 Process for preparing peptide derivatized oligomeric compounds IAPP, PTMS, NGLY1 ALDH1A1 4879/4885CYP2D6 4877/4885CA12 1771/4885
US-20040198972-A1 Processes for the preparation of oligonucleotides RNGTT, RNMT, NUDT1 ALDH1A1 3915/4885CYP2D6 3939/4885CA12 3082/4885

“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.