SCHEMBL6793399

SCHEMBL6793399

O=C(O)c1ccc(CN2C(=O)CSC2=S)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 1.00
KMT2A Q03164 5/20 1.00
MEN1 O00255 4/20 1.00
GAA P10253 3/20 1.00
MAPT P10636 2/20 1.00
THRB P10828 2/20 1.00
HTT P42858 2/20 1.00
RECQL P46063 2/20 1.00
TDP1 Q9NUW8 2/20 1.00
POLB P06746 1/20 1.00
L3MBTL1 Q9Y468 1/20 1.00
GSK3A P49840 6/20 0.70
GSK3B P49841 6/20 0.70
PTGS1 P23219 1/20 0.54
PTGS2 P35354 1/20 0.54
HSD17B10 Q99714 2/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
ALOX15 P16050 1/20 0.53
MAPK1 P28482 1/20 0.53

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
SCHEMBL1199839 0.85 ALDH1A1 (0.74) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL1520611 0.83 GSK3A (1.00) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL20339365 0.81 GSK3A (0.73) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL4399435 0.80 GSK3A (0.71) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL20339366 0.80 GSK3A (0.71) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL5464121 0.77 GSK3A (0.76) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL5464124 0.77 GSK3A (0.76) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL5468543 0.77 GSK3A (0.66) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL20339824 0.77 GSK3A (0.66) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL2908429 0.77 GSK3A (0.66) ALDH1A1KMT2AMEN1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040198741-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases WYETH 2004-10-07 US disclosed
US-20030195213-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases BAILEY THOMAS R (US) 2003-10-16 US disclosed
EP-1128832-A4 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INC (US) 2003-03-05 EP disclosed
US-20020052396-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases BAILEY THOMAS R (US) 2002-05-02 US disclosed
EP-1128832-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING VIRAL INFECTIONS AND ASSOCIATED DISEASES Viropharma Incorporated (US) 2001-09-05 EP disclosed
WO-2000010573-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INCORPORATED (US) 2000-03-02 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-20030195213-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases RXRG, TREH, RARG ALDH1A1 745/4885KMT2A 1754/4885MEN1 3202/4885
US-20020052396-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases RXRG, TREH, RARG ALDH1A1 745/4885KMT2A 1754/4885MEN1 3202/4885
US-20040198741-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases RXRG, TREH, RARG ALDH1A1 745/4885KMT2A 1754/4885MEN1 3202/4885

“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.