SCHEMBL6797919

SCHEMBL6797919

Cc1ccc(-c2ccc(C=C3SC(=S)N(c4ccc(C(=O)O)cc4)C3=O)o2)cc1C

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN22 Q9Y2R2 2/20 0.70
PTPN12 Q05209 1/20 0.70
STAT3 P40763 1/20 0.61
LCK P06239 1/20 0.55
DUSP22 Q9NRW4 2/20 0.54
MAP3K5 Q99683 2/20 0.54
IKBKB O14920 2/20 0.53
APEX1 P27695 1/20 0.53
BRAF P15056 1/20 0.52
INSR P06213 1/20 0.52
IGF1R P08069 1/20 0.52
CFTR P13569 2/20 0.51
PSMB8 P28062 1/20 0.49
SIRT5 Q9NXA8 1/20 0.49
ENPP2 Q13822 1/20 0.49

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
SCHEMBL6792814 0.89 PTPN12 (0.69) PTPN22PTPN12STAT3LCKDUSP22
SCHEMBL7643996 0.89 PTPN12 (0.69) PTPN22PTPN12STAT3LCKDUSP22
SCHEMBL6785177 0.87 PTPN12 (0.76) PTPN22PTPN12STAT3DUSP22MAP3K5
SCHEMBL6786241 0.87 PTPN12 (0.70) PTPN22PTPN12STAT3LCKDUSP22
SCHEMBL6791054 0.87 PTPN22 (0.70) PTPN22PTPN12STAT3LCKDUSP22
SCHEMBL6795412 0.87 APEX1 (0.70) PTPN22PTPN12STAT3LCKDUSP22
SCHEMBL6790210 0.86 PTPN22 (0.67) PTPN22PTPN12STAT3LCKDUSP22
SCHEMBL6790545 0.86 PTPN12 (0.77) PTPN22PTPN12STAT3LCKDUSP22
SCHEMBL46216 0.86 PTPN12 (0.77) PTPN22PTPN12STAT3DUSP22MAP3K5
SCHEMBL6742617 0.86 PTPN12 (0.77) PTPN22PTPN12STAT3DUSP22MAP3K5

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 11 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
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 PTPN22 3567/4885PTPN12 3716/4885STAT3 3208/4885
US-20020052396-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases RXRG, TREH, RARG PTPN22 3567/4885PTPN12 3716/4885STAT3 3208/4885
US-20040198741-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases RXRG, TREH, RARG PTPN22 3567/4885PTPN12 3716/4885STAT3 3208/4885

“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.