SCHEMBL6791582

SCHEMBL6791582

CC(=O)c1ccccc1-c1ccc(C=C2SC(=S)N(c3ccc(C(=O)O)cc3)C2=O)o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.62
KMT2A Q03164 7/20 0.62
POLB P06746 7/20 0.62
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
PTPN12 Q05209 1/20 0.61
PTPN22 Q9Y2R2 1/20 0.61
DUSP22 Q9NRW4 2/20 0.59
ENPP2 Q13822 1/20 0.58
SYK P43405 1/20 0.54
PLA2G1B P04054 1/20 0.53
BLM P54132 1/20 0.53
MCL1 Q07820 1/20 0.53
ATG4B Q9Y4P1 1/20 0.53
STAT3 P40763 1/20 0.53
PTP4A3 O75365 1/20 0.52
ALDH1A1 P00352 5/20 0.51
MAPT P10636 5/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
NSD2 O96028 2/20 0.51

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
SCHEMBL6791360 0.87 MAP3K5 (0.66) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL6790545 0.85 PTPN12 (0.77) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL6785177 0.85 PTPN12 (0.76) MEN1KMT2APOLBRAB9APTPN12
SCHEMBL6785192 0.84 TNFRSF1A (0.62) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL7168872 0.84 PTPN12 (0.72) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL6784929 0.84 PTPN12 (0.72) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL46216 0.83 PTPN12 (0.77) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL6742617 0.83 PTPN12 (0.77) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL6785407 0.83 PTPN12 (0.61) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL6797364 0.81 PTPN12 (0.61) MEN1KMT2APOLBRAB9APTPN12

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 3202/4885KMT2A 1754/4885POLB 2141/4885
US-20020052396-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases RXRG, TREH, RARG MEN1 3202/4885KMT2A 1754/4885POLB 2141/4885
US-20040198741-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases RXRG, TREH, RARG MEN1 3202/4885KMT2A 1754/4885POLB 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.