SCHEMBL6786647

SCHEMBL6786647

O=C(O)CCN1C(=O)C(=Cc2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)SC1=S

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 11/20 0.74
HIF1AN Q9NWT6 1/20 0.70
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
MCL1 Q07820 2/20 0.61
PKM P14618 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
ALDH1A1 P00352 2/20 0.58
POLB P06746 2/20 0.58
MAPT P10636 2/20 0.58
HPGD P15428 2/20 0.58
PSMD14 O00487 1/20 0.58
DNMT1 P26358 1/20 0.58
HTT P42858 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
PTPN22 Q9Y2R2 1/20 0.58

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
SCHEMBL3897009 0.92 MAP3K5 (0.87) MAP3K5HIF1ANMEN1KMT2AMCL1
SCHEMBL3897012 0.92 MAP3K5 (0.87) MAP3K5HIF1ANMEN1KMT2AMCL1
SCHEMBL6792459 0.85 MAP3K5 (0.84) MAP3K5HIF1ANMEN1KMT2AMCL1
SCHEMBL6790880 0.85 HIF1AN (0.74) MAP3K5HIF1ANMEN1KMT2AMCL1
SCHEMBL3905768 0.85 HIF1AN (0.83) MAP3K5HIF1ANMEN1KMT2AMCL1
SCHEMBL3905770 0.85 HIF1AN (0.83) MAP3K5HIF1ANMEN1KMT2AMCL1
SCHEMBL6785810 0.85 MAP3K5 (0.73) MAP3K5HIF1ANMEN1KMT2AMCL1
SCHEMBL8290210 0.83 HIF1AN (0.83) MAP3K5HIF1ANMEN1KMT2AMCL1
SCHEMBL23433501 0.82 HIF1AN (0.81) MAP3K5HIF1ANMEN1KMT2AMCL1
SCHEMBL23433454 0.82 HIF1AN (0.81) MAP3K5HIF1ANMEN1KMT2AMCL1

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
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 MAP3K5 4055/4885HIF1AN 285/4885MEN1 3202/4885
US-20020052396-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases RXRG, TREH, RARG MAP3K5 4055/4885HIF1AN 285/4885MEN1 3202/4885
US-20040198741-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases RXRG, TREH, RARG MAP3K5 4055/4885HIF1AN 285/4885MEN1 3202/4885

“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.