SCHEMBL6795412

SCHEMBL6795412

O=C(O)c1ccc(N2C(=O)C(=Cc3ccc(-c4cccc(C(=O)O)c4)o3)SC2=S)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.70
PTPN12 Q05209 1/20 0.69
PTPN22 Q9Y2R2 1/20 0.69
LCK P06239 1/20 0.69
PIK3CG P48736 2/20 0.63
IKBKB O14920 1/20 0.60
DUSP22 Q9NRW4 3/20 0.59
MEN1 O00255 3/20 0.59
POLB P06746 3/20 0.59
KMT2A Q03164 3/20 0.59
L3MBTL1 Q9Y468 3/20 0.59
ALDH1A1 P00352 2/20 0.59
MAPT P10636 2/20 0.59
GPR55 Q9Y2T6 2/20 0.59
KDM4E B2RXH2 1/20 0.59
LMNA P02545 1/20 0.59
GAA P10253 1/20 0.59
MAPK1 P28482 1/20 0.59
RECQL P46063 1/20 0.59
TDP1 Q9NUW8 1/20 0.59

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
SCHEMBL3892654 0.95 APEX1 (0.71) APEX1PTPN12PTPN22LCKPIK3CG
SCHEMBL3892650 0.95 APEX1 (0.71) APEX1PTPN12PTPN22LCKPIK3CG
SCHEMBL29908306 0.93 LCK (0.80) APEX1PTPN12PTPN22LCKPIK3CG
SCHEMBL6790545 0.92 PTPN12 (0.77) APEX1PTPN12PTPN22LCKIKBKB
SCHEMBL29697584 0.91 DUSP22 (0.64) APEX1PTPN12PTPN22LCKPIK3CG
SCHEMBL3892623 0.90 PTPN12 (0.81) APEX1PTPN12PTPN22LCKPIK3CG
SCHEMBL3892621 0.90 PTPN12 (0.81) APEX1PTPN12PTPN22LCKPIK3CG
SCHEMBL3896302 0.90 MEN1 (0.68) APEX1PTPN12PTPN22LCKPIK3CG
SCHEMBL29554356 0.90 MEN1 (0.68) APEX1PTPN12PTPN22LCKPIK3CG
SCHEMBL3896309 0.90 MEN1 (0.68) APEX1PTPN12PTPN22LCKPIK3CG

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 12 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
US-20020052396-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases BAILEY THOMAS R (US) 2002-05-02 US 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
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 APEX1 3612/4885PTPN12 3716/4885PTPN22 3567/4885
US-20020052396-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases RXRG, TREH, RARG APEX1 3612/4885PTPN12 3716/4885PTPN22 3567/4885
US-20040198741-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases RXRG, TREH, RARG APEX1 3612/4885PTPN12 3716/4885PTPN22 3567/4885

“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.