SCHEMBL3389367

SCHEMBL3389367

O=C(O)CC1=NS(=O)(=O)c2cc(O)ccc2N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
CA2 P00918 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
TSHR P16473 3/20 0.38
LMNA P02545 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
THRB P10828 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 2/20 0.36

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
Ether SCHEMBL6234273 0.91 ALDH1A1 (0.42) ALDH1A1CA2CA12CA1CA4
SCHEMBL3389375 0.86 CA2 (0.40) ALDH1A1CA2CA12CA1CA4
SCHEMBL13712963 0.84 ALDH1A1 (0.44) ALDH1A1CA12CA9TSHRLMNA
SCHEMBL14338091 0.84 ALDH1A1 (0.47) ALDH1A1CA2CA12CA1CA4
SCHEMBL5098238 0.82 MEN1 (0.41) ALDH1A1CA2CA12CA1CA4
SCHEMBL3392351 0.81 MAPT (0.46) ALDH1A1CA2CA12CA1CA4
SCHEMBL390919 0.81 ALDH1A1 (0.65) ALDH1A1CA2CA12CA1CA9
SCHEMBL15884036 0.80 CYP1A2 (0.44) ALDH1A1CA12CA9LMNASMN1; SMN2
SCHEMBL14242094 0.79 ALDH1A1 (0.40) ALDH1A1TSHRLMNACYP3A4CYP2D6
SCHEMBL3391436 0.79 MEN1 (0.49) ALDH1A1CYP1A2MEN1KMT2AUSP2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1560827-B1 ANTI-INFECTIVE AGENTS ABBOTT LAB (US) 2010-12-29 EP disclosed
US-7425552-B2 Antiviral agent especially to treat hepatitis C virus infections; 5-Hydroxy-4-(7-methoxy-1,1-dioxo-1,2-dihydro-1 lambda 6-benzo[1,2,4]thiadiazin-3-yl)-2-(3-methyl-butyl)-6-thiophen-2-yl-2H-py-ridazin-3-one; side effects reduction ANADYS PHARMACEUTICALS, INC. (US) 2008-09-16 US disclosed
US-7425552-B2 Antiviral agent especially to treat hepatitis C virus infections; 5-Hydroxy-4-(7-methoxy-1,1-dioxo-1,2-dihydro-1 lambda 6-benzo[1,2,4]thiadiazin-3-yl)-2-(3-methyl-butyl)-6-thiophen-2-yl-2H-py-ridazin-3-one; side effects reduction ANADYS PHARMACEUTICALS, INC. (US) 2008-09-16 US disclosed
US-7425552-B2 Antiviral agent especially to treat hepatitis C virus infections; 5-Hydroxy-4-(7-methoxy-1,1-dioxo-1,2-dihydro-1 lambda 6-benzo[1,2,4]thiadiazin-3-yl)-2-(3-methyl-butyl)-6-thiophen-2-yl-2H-py-ridazin-3-one; side effects reduction ANADYS PHARMACEUTICALS, INC. (US) 2008-09-16 US disclosed
US-20060189602-A1 Pyridazinone compounds ANADYS PHARMACEUTICALS, INC. (US) 2006-08-24 US disclosed
EP-1560827-A1 ANTI-INFECTIVE AGENTS Abbott Laboratories (US) 2005-08-10 EP disclosed
US-20050075331-A1 Anti-infective agents ABBOTT LABORATORIES 2005-04-07 US disclosed
US-20040167123-A1 Anti-infective agents ABBVIE INC. 2004-08-26 US disclosed
US-20040162285-A1 Anti-infective agents ABBOTT LABORATORIES 2004-08-19 US disclosed
WO-2004052312-A2 ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2004-06-24 WO disclosed
WO-2004052313-A2 ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2004-06-24 WO disclosed
WO-2004041818-A1 ANTI-INFECTIVE AGENTS ABBOTT LABORATORIES (US) 2004-05-21 WO disclosed
US-20040087577-A1 Anti-infective agents ABBOTT LABORATORIES 2004-05-06 US disclosed
WO-2003099801-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2003-12-04 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 (5 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-20040162285-A1 Anti-infective agents POLR1C, RPL5, POLB ALDH1A1 1434/4885CA2 4395/4885CA12 4101/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 ALDH1A1 891/4885CA2 4484/4885CA12 4557/4885
US-20060189602-A1 Pyridazinone compounds HAVCR2, PLPBP, CYP3A43 ALDH1A1 1191/4885CA2 4878/4885CA12 4845/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT ALDH1A1 1592/4885CA2 4440/4885CA12 4493/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB ALDH1A1 1434/4885CA2 4395/4885CA12 4101/4885

“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.