SCHEMBL6790591

SCHEMBL6790591

O=C(O)c1ccc(N2C(=O)C(=Cc3ccc(-c4cccs4)o3)SC2=S)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN12 Q05209 1/20 0.64
PTPN22 Q9Y2R2 1/20 0.64
DUSP22 Q9NRW4 2/20 0.59
CFTR P13569 3/20 0.53
STAT3 P40763 1/20 0.53
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
POLB P06746 5/20 0.50
MAPT P10636 4/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 1/20 0.50
PTPN1 P18031 1/20 0.50
KDM4E B2RXH2 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ALOX12 P18054 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
THRB P10828 1/20 0.49
MAPK1 P28482 1/20 0.49
MAP3K5 Q99683 1/20 0.48

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
SCHEMBL6790545 0.86 PTPN12 (0.77) PTPN12PTPN22DUSP22CFTRSTAT3
SCHEMBL6742617 0.84 PTPN12 (0.77) PTPN12PTPN22DUSP22STAT3MEN1
SCHEMBL46216 0.84 PTPN12 (0.77) PTPN12PTPN22DUSP22STAT3MEN1
SCHEMBL6785758 0.83 PTPN12 (0.63) PTPN12PTPN22DUSP22CFTRSTAT3
SCHEMBL6784452 0.83 PTPN12 (0.63) PTPN12PTPN22DUSP22CFTRSTAT3
SCHEMBL6791401 0.83 PTPN12 (0.65) PTPN12PTPN22DUSP22CFTRSTAT3
SCHEMBL6901603 0.83 PTPN12 (0.62) PTPN12PTPN22DUSP22CFTRSTAT3
SCHEMBL6795412 0.82 APEX1 (0.70) PTPN12PTPN22DUSP22CFTRSTAT3
SCHEMBL6789201 0.82 PTPN22 (0.59) PTPN12PTPN22DUSP22CFTRSTAT3
SCHEMBL6797364 0.82 PTPN12 (0.61) PTPN12PTPN22DUSP22CFTRSTAT3

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-20040198741-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases WYETH 2004-10-07 US claimed
US-20030195213-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases BAILEY THOMAS R (US) 2003-10-16 US claimed
EP-1128832-A4 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INC (US) 2003-03-05 EP claimed
EP-1128832-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING VIRAL INFECTIONS AND ASSOCIATED DISEASES Viropharma Incorporated (US) 2001-09-05 EP claimed
WO-2000010573-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INCORPORATED (US) 2000-03-02 WO claimed
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 PTPN12 3716/4885PTPN22 3567/4885DUSP22 4588/4885
US-20020052396-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases RXRG, TREH, RARG PTPN12 3716/4885PTPN22 3567/4885DUSP22 4588/4885
US-20040198741-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases RXRG, TREH, RARG PTPN12 3716/4885PTPN22 3567/4885DUSP22 4588/4885

“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.