SCHEMBL6790616

SCHEMBL6790616

O=C(O)c1ccc(CN2C(=O)C(=Cc3ccc(-c4cc(C(F)(F)F)ccc4Cl)o3)SC2=S)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
ALDH1A1 P00352 2/20 0.59
POLB P06746 2/20 0.59
MAPT P10636 2/20 0.59
KMT2A Q03164 2/20 0.59
MCL1 Q07820 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
EIF4E P06730 1/20 0.59
EIF4G1 Q04637 1/20 0.59
THRB P10828 1/20 0.59
RECQL P46063 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
ENPP2 Q13822 2/20 0.59
NLRP3 Q96P20 1/20 0.58
MAP3K5 Q99683 5/20 0.57
PKM P14618 1/20 0.56
PTPN7 P35236 1/20 0.56
PTPN12 Q05209 1/20 0.56
PTPN22 Q9Y2R2 1/20 0.56
STAT3 P40763 1/20 0.54

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
SCHEMBL6790074 0.87 MAP3K5 (0.72) MAPTMAP3K5PTPN22
SCHEMBL7645400 0.87 MAP3K5 (0.72) MAPTMAP3K5PTPN22
SCHEMBL7852499 0.87 MAP3K5 (0.72) MAPTMAP3K5PTPN22
SCHEMBL6789461 0.87 CFTR (0.61) MEN1POLBKMT2ATDP1NLRP3
SCHEMBL7665278 0.87 CFTR (0.61) MEN1POLBKMT2ATDP1NLRP3
SCHEMBL6785810 0.86 MAP3K5 (0.73) MEN1KMT2AMCL1TDP1MAP3K5
SCHEMBL14267152 0.84 TNFRSF1A (0.67) MEN1ALDH1A1MAPTKMT2AEIF4E
SCHEMBL20339629 0.82 MEN1 (0.71) MEN1ALDH1A1POLBMAPTKMT2A
SCHEMBL20339627 0.82 MEN1 (0.71) MEN1ALDH1A1POLBMAPTKMT2A
SCHEMBL6788448 0.81 CFTR (0.61) MEN1ALDH1A1POLBMAPTKMT2A

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 5 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 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 MEN1 3202/4885ALDH1A1 745/4885POLB 2141/4885
US-20040198741-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases RXRG, TREH, RARG MEN1 3202/4885ALDH1A1 745/4885POLB 2141/4885

“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.