SCHEMBL6790407

SCHEMBL6790407

O=C(O)CCN1C(=O)C(=Cc2ccc(-c3cc4ccccc4s3)o2)SC1=S

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.71
▸ POLB P06746 4/20 0.71
▸ MAPT P10636 4/20 0.71
▸ KMT2A Q03164 4/20 0.71
▸ ALDH1A1 P00352 3/20 0.71
▸ HPGD P15428 3/20 0.71
▸ PSMD14 O00487 3/20 0.71
▸ PTPN22 Q9Y2R2 3/20 0.71
▸ MCL1 Q07820 2/20 0.71
▸ NPSR1 Q6W5P4 2/20 0.71
▸ DNMT1 P26358 1/20 0.71
▸ HTT P42858 1/20 0.71
▸ MAP3K5 Q99683 11/20 0.66
▸ L3MBTL1 Q9Y468 2/20 0.64
▸ KDM4E B2RXH2 1/20 0.64
▸ APAF1 O14727 1/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ RECQL P46063 1/20 0.64
▸ TDP1 Q9NUW8 1/20 0.64
▸ PTPN7 P35236 1/20 0.64

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
SCHEMBL13220203 0.85 APEX1 (0.56) MEN1POLBMAPTKMT2AALDH1A1
SCHEMBL3905770 0.83 HIF1AN (0.83) MEN1POLBMAPTKMT2AALDH1A1
SCHEMBL3905768 0.83 HIF1AN (0.83) MEN1POLBMAPTKMT2AALDH1A1
SCHEMBL7642796 0.83 MAP3K5 (0.68) MEN1POLBMAPTKMT2AALDH1A1
SCHEMBL6791091 0.83 MAP3K5 (0.68) MEN1POLBMAPTKMT2AALDH1A1
SCHEMBL26458785 0.83 MEN1 (1.00) MEN1POLBMAPTKMT2AALDH1A1
SCHEMBL6798136 0.83 MAP3K5 (0.72) MEN1POLBMAPTKMT2AALDH1A1
SCHEMBL6790934 0.82 MAP3K5 (0.68) MEN1POLBMAPTKMT2AALDH1A1
SCHEMBL6790932 0.82 MAP3K5 (0.68) MEN1POLBMAPTKMT2AALDH1A1
SCHEMBL6791935 0.81 HIF1AN (0.72) MEN1POLBMAPTKMT2AALDH1A1

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
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 MEN1 3202/4885POLB 2141/4885MAPT 1526/4885
US-20020052396-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases RXRG, TREH, RARG MEN1 3202/4885POLB 2141/4885MAPT 1526/4885
US-20040198741-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases RXRG, TREH, RARG MEN1 3202/4885POLB 2141/4885MAPT 1526/4885

“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.

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