SCHEMBL6790545

SCHEMBL6790545

O=C(O)c1ccc(N2C(=O)C(=Cc3ccc(-c4ccccc4)o3)SC2=S)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN12 Q05209 1/20 0.77
PTPN22 Q9Y2R2 1/20 0.77
DUSP22 Q9NRW4 2/20 0.67
STAT3 P40763 1/20 0.65
POLB P06746 4/20 0.62
ALDH1A1 P00352 3/20 0.62
MAPT P10636 3/20 0.62
LMNA P02545 2/20 0.62
RAB9A P51151 2/20 0.62
MAP3K5 Q99683 1/20 0.59
APEX1 P27695 1/20 0.58
LCK P06239 1/20 0.58
INSR P06213 1/20 0.57
IGF1R P08069 1/20 0.57
PSMB8 P28062 2/20 0.56
HTT P42858 1/20 0.56
PTPN1 P18031 1/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
PTGES O14684 1/20 0.56

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
SCHEMBL46216 0.96 PTPN12 (0.77) PTPN12PTPN22DUSP22STAT3POLB
SCHEMBL6742617 0.96 PTPN12 (0.77) PTPN12PTPN22DUSP22STAT3POLB
SCHEMBL6795412 0.92 APEX1 (0.70) PTPN12PTPN22DUSP22STAT3POLB
SCHEMBL6784443 0.91 PTPN12 (0.76) PTPN12PTPN22DUSP22STAT3POLB
SCHEMBL6790996 0.91 PTPN12 (0.76) PTPN12PTPN22DUSP22STAT3POLB
SCHEMBL7642310 0.91 PTPN12 (0.76) PTPN12PTPN22DUSP22STAT3POLB
SCHEMBL6785177 0.91 PTPN12 (0.76) PTPN12PTPN22DUSP22STAT3POLB
SCHEMBL3895634 0.90 POLB (0.72) PTPN12PTPN22STAT3POLBALDH1A1
SCHEMBL3895627 0.90 POLB (0.72) PTPN12PTPN22STAT3POLBALDH1A1
SCHEMBL15374280 0.90 POLB (0.72) PTPN12PTPN22STAT3POLBALDH1A1

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-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
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 (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-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-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.