SCHEMBL6791506

SCHEMBL6791506

O=C(O)CCN1C(=O)C(=Cc2ccc(-c3cccs3)s2)SC1=S

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.65
▸ CISD1 Q9NZ45 2/20 0.61
▸ MAOA P21397 1/20 0.61
▸ MCL1 Q07820 3/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ PLEC Q15149 1/20 0.61
▸ KMT2A Q03164 6/20 0.58
▸ HTT P42858 2/20 0.58
▸ KDM4E B2RXH2 2/20 0.58
▸ MEN1 O00255 4/20 0.54
▸ MAPT P10636 3/20 0.54
▸ POLB P06746 2/20 0.54
▸ BLM P54132 2/20 0.54
▸ GAA P10253 1/20 0.54
▸ RECQL P46063 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ PPARG P37231 1/20 0.54
▸ DNMT1 P26358 2/20 0.53
▸ PKM P14618 1/20 0.53

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
SCHEMBL1901690 0.89 PTPN22 (0.61) FFAR1ALDH1A1KMT2AKDM4EMEN1
SCHEMBL1901692 0.89 PTPN22 (0.61) FFAR1ALDH1A1KMT2AKDM4EMEN1
SCHEMBL1901689 0.89 PTPN22 (0.61) FFAR1ALDH1A1KMT2AKDM4EMEN1
SCHEMBL12008950 0.85 FFAR1 (0.86) FFAR1CISD1MAOAALDH1A1KMT2A
SCHEMBL7860609 0.83 TNFRSF1A (0.55) FFAR1MAOAALDH1A1KMT2AMEN1
SCHEMBL6790934 0.81 MAP3K5 (0.68) FFAR1CISD1MAOAMCL1ALDH1A1
SCHEMBL6790932 0.81 MAP3K5 (0.68) FFAR1CISD1MAOAMCL1ALDH1A1
SCHEMBL12008998 0.80 CISD1 (0.66) FFAR1CISD1MAOAALDH1A1KMT2A
SCHEMBL12006896 0.79 FFAR1 (1.00) FFAR1ALDH1A1KMT2AHTTKDM4E
SCHEMBL19420154 0.77 FFAR1 (1.00) FFAR1MCL1ALDH1A1KMT2AKDM4E

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
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 (2 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 FFAR1 641/4885CISD1 2509/4885MAOA 1045/4885
US-20040198741-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases RXRG, TREH, RARG FFAR1 641/4885CISD1 2509/4885MAOA 1045/4885

“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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