Sugi Predict

Sugi Predict / Compounds / Diphenylsulfane

Diphenylsulfane

Diphenylsulfane

SCHEMBL4401424

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

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.35
▸ CA1 P00915 3/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SLC1A1 P43005 3/20 0.33
▸ SLC1A3 P43003 2/20 0.33
▸ SLC1A2 P43004 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TACR1 P25103 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MAPK1 P28482 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
SCHEMBL1578765 0.94 KMT2A (0.41) KMT2AALDH1A1CA1CA2CA7
SCHEMBL3468136 0.94 KMT2A (0.41) KMT2AALDH1A1CA1CA2CA7
Diphenylsulfane SCHEMBL4396379 0.88 KMT2A (0.33) KMT2ACA1CA2CA7CA9
Diphenylsulfane SCHEMBL4398858 0.83 CA1 (0.40) KMT2ACA1CA2CA7CA9
SCHEMBL23292518 0.82 CA1 (0.44) KMT2ACA1CA2CA7CA9
SCHEMBL1479599 0.82 CA1 (0.44) KMT2ACA1CA2CA7CA9
SCHEMBL2290678 0.82 CA1 (0.44) KMT2ACA1CA2CA7CA9
SCHEMBL1674203 0.82 CA1 (0.44) KMT2ACA1CA2CA7CA9
SCHEMBL1561831 0.78 CA1 (0.45) KMT2ACA1CA2CA7CA9
SCHEMBL2562479 0.78 CA1 (0.45) KMT2ACA1CA2CA7CA9

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 5 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

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 KMT2A 4039/4885ALDH1A1 4363/4885CA1 3479/4885
US-20050075483-A1 Glycopeptide antibiotics, combinatorial libraries of glycopeptide antibiotics and methods of producing same ARSA, STS, GARS1 KMT2A 3654/4885ALDH1A1 3652/4885CA1 2567/4885

“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.