Diphenylsulfane

Diphenylsulfane

SCHEMBL4398858

O=C[C@H](O)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](O)COCc1ccccc1.c1ccc(Sc2ccccc2)cc1

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.36
SLC1A1 P43005 3/20 0.35
SLC1A3 P43003 2/20 0.35
SLC1A2 P43004 2/20 0.35
CYP2C19 P33261 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TACR1 P25103 3/20 0.35
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL1578761 0.92 CA1 (0.45) CA1CA2CA7CA9KMT2A
SCHEMBL2483161 0.92 CA1 (0.45) CA1CA2CA7CA9KMT2A
SCHEMBL5980669 0.92 CA1 (0.45) CA1CA2CA7CA9KMT2A
SCHEMBL27829633 0.92 CA1 (0.45) CA1CA2CA7CA9KMT2A
SCHEMBL11790408 0.88 CA1 (0.46) CA1CA2CA7CA9KMT2A
Diphenylsulfane SCHEMBL4401424 0.83 KMT2A (0.37) CA1CA2CA7CA9KMT2A
SCHEMBL27957107 0.83 CA1 (0.44) CA1CA2CA7CA9KMT2A
SCHEMBL11454462 0.81 CA1 (0.56) CA1CA2CA7CA9KMT2A
SCHEMBL23292518 0.81 CA1 (0.44) CA1CA2CA7CA9KMT2A
SCHEMBL1674203 0.81 CA1 (0.44) CA1CA2CA7CA9KMT2A

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-7473671-B2 Glycopeptide antibiotics, combinatorial libraries of glycopeptide antibiotics and methods of producing same THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2009-01-06 US disclosed
US-7331920-B2 Glycopeptide antibiotics, combinational libraries of glycopeptide antibiotics and methods of producing same THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2008-02-19 US disclosed
US-20050075483-A1 Glycopeptide antibiotics, combinatorial libraries of glycopeptide antibiotics and methods of producing same TRUSTEES OF PRINCETON UNIVERSITY 2005-04-07 US disclosed
US-20040106772-A1 Glycopeptide antibiotics, combinatorial libraries of glycopeptide antibiotics and methods of producing same TRUSTEES OF PRINCETON UNIVERSITY, THE 2004-06-03 US disclosed
US-6710168-B1 VANCOMYCIN DERIVATIVES THE TRUSTEES OF THE UNIVERSITY OF PRINCETON 2004-03-23 US disclosed
EP-1095058-A4 GLYCOPEPTIDE ANTIBIOTICS, COMBINATORIAL LIBRARIES OF GLYCOPEPTIDE ANTIBIOTICS AND METHODS OF PRODUCING SAME UNIV PRINCETON (US) 2003-07-16 EP disclosed
EP-1179011-A1 GLYCOPEPTIDE ANTIBIOTICS, COMBINATORIAL LIBRARIES OF GLYCOPEPTIDE ANTIBIOTICS AND METHODS OF PRODUCING SAME Princeton University (US) 2002-02-13 EP disclosed
EP-1095058-A1 GLYCOPEPTIDE ANTIBIOTICS, COMBINATORIAL LIBRARIES OF GLYCOPEPTIDE ANTIBIOTICS AND METHODS OF PRODUCING SAME Princeton University (US) 2001-05-02 EP disclosed
WO-2000069892-A1 GLYCOPEPTIDE ANTIBIOTICS, COMBINATORIAL LIBRARIES OF GLYCOPEPTIDE ANTIBIOTICS AND METHODS OF PRODUCING SAME PRINCETON UNIVERSITY (US) 2000-11-23 WO disclosed
WO-2000004044-A1 GLYCOPEPTIDE ANTIBIOTICS, COMBINATORIAL LIBRARIES OF GLYCOPEPTIDE ANTIBIOTICS AND METHODS OF PRODUCING SAME PRINCETON UNIVERSITY (US) 2000-01-27 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-20040106772-A1 Glycopeptide antibiotics, combinatorial libraries of glycopeptide antibiotics and methods of producing same NPR1, NPR3, OSTC CA1 3479/4885CA2 2907/4885CA7 571/4885
US-20050075483-A1 Glycopeptide antibiotics, combinatorial libraries of glycopeptide antibiotics and methods of producing same ARSA, STS, GARS1 CA1 2567/4885CA2 2196/4885CA7 456/4885

“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.