SCHEMBL6786253

SCHEMBL6786253

O=C(O)c1ccc(N2C(=O)C(=Cc3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)o3)SC2=S)cc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN12 Q05209 1/20 0.66
PTPN22 Q9Y2R2 1/20 0.66
CFTR P13569 10/20 0.65
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
NLRP3 Q96P20 1/20 0.57
STAT3 P40763 1/20 0.55
DUSP22 Q9NRW4 2/20 0.53
LCK P06239 1/20 0.52
MAP3K5 Q99683 2/20 0.52
APEX1 P27695 1/20 0.50
IKBKB O14920 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
SCHEMBL7202246 0.92 CFTR (0.64) PTPN12PTPN22CFTRMEN1KMT2A
SCHEMBL6789054 0.92 CFTR (0.64) PTPN12PTPN22CFTRMEN1KMT2A
SCHEMBL6784553 0.88 PTPN12 (0.69) PTPN12PTPN22CFTRMEN1KMT2A
SCHEMBL6792814 0.86 PTPN12 (0.69) PTPN12PTPN22CFTRMEN1KMT2A
SCHEMBL6791281 0.86 PTPN12 (0.69) PTPN12PTPN22CFTRMEN1KMT2A
SCHEMBL7643996 0.86 PTPN12 (0.69) PTPN12PTPN22CFTRMEN1KMT2A
SCHEMBL6790545 0.85 PTPN12 (0.77) PTPN12PTPN22CFTRMEN1KMT2A
SCHEMBL6789461 0.85 CFTR (0.61) PTPN12PTPN22CFTRMEN1KMT2A
SCHEMBL7665278 0.85 CFTR (0.61) PTPN12PTPN22CFTRMEN1KMT2A
SCHEMBL6791054 0.84 PTPN22 (0.70) PTPN12PTPN22CFTRMEN1KMT2A

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 PTPN12 3716/4885PTPN22 3567/4885CFTR 273/4885
US-20020052396-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases RXRG, TREH, RARG PTPN12 3716/4885PTPN22 3567/4885CFTR 273/4885
US-20040198741-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases RXRG, TREH, RARG PTPN12 3716/4885PTPN22 3567/4885CFTR 273/4885

“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.