SCHEMBL3764475

SCHEMBL3764475

Nc1ccc(N=S(=O)=O)cc1S(N)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 9/20 0.42
▸ CA2 P00918 9/20 0.42
▸ CA9 Q16790 9/20 0.42
▸ CA1 P00915 7/20 0.42
▸ CA4 P22748 7/20 0.42
▸ CA6 P23280 7/20 0.42
▸ CA5A P35218 7/20 0.42
▸ CA7 P43166 7/20 0.42
▸ CA14 Q9ULX7 7/20 0.42
▸ CA5B Q9Y2D0 7/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ GLO1 Q04760 5/20 0.40
▸ CA3 P07451 1/20 0.39
▸ APEX1 P27695 2/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.34
▸ PKM P14618 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL8819088 0.79 CA2 (0.47) CA12CA2CA9CA1CA4
SCHEMBL1807656 0.72 CA2 (0.63) CA12CA2CA9CA1CA4
SCHEMBL10889596 0.72 GAA (0.42) CA12CA2CA9CA1CYP2C9
SCHEMBL393315 0.70 CA2 (0.54) CA12CA2CA9CA1CA4
SCHEMBL31095544 0.70 CA2 (0.54) CA12CA2CA9CA1CA4
SCHEMBL27716582 0.68 TSHR (0.45) CA12CA2CA9CA1CA7
SCHEMBL27716593 0.68 LMNA (0.32) CYP2C9CYP2C19ALDH1A1MAPTTDP1
SCHEMBL27716615 0.68 TDP1 (0.45) GLO1ALDH1A1KDM4EPKMMEN1
SCHEMBL5353740 0.68 G6PD (0.56) CA12CA2CA9CA1CA4
SCHEMBL389306 0.67 CA1 (0.50) CA12CA2CA9CA1CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2038286-B1 PYRRO[1,2-B]PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS INC (US) 2017-03-08 — — EP disclosed
US-7842838-B2 Pyrro[1,2-b]pyridazinone intermediates ANADYS PHARMACEUTICALS, INC. (US) 2010-11-30 — — US disclosed
US-20090312570-A1 PYRRO[1,2-b]PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS, INC (US) 2009-12-17 — — US disclosed
US-7582626-B2 5,6-dihydro-1H-pyridin-2-one compounds ANADYS PHARMACEUTICALS, INC. (US) 2009-09-01 — — US disclosed
US-7582754-B2 For treating hepatitis C virus infections; polymerase inhibitors ANADYS PHARMACEUTICALS, INC. (US) 2009-09-01 — — US disclosed
US-20090111798-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. 2009-04-30 — — US disclosed
US-20090105473-A1 PYRRO[1,2-b]PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2009-04-23 — — US disclosed
EP-2038286-A1 PYRRO[1,2-B]PYRIDAZINONE COMPOUNDS Anadys Pharmaceuticals, Inc. (US) 2009-03-25 — — EP disclosed
US-7462611-B2 inhibitor of HCV NS5B polymerase; to treat infections caused by hepatitis C virus; 3-(1,1-Dioxo-1,4-dihydro-1 lambda 6-benzo[1,2,4]thiadiazin-3-yl)-4-hydroxy-1-(3-methyl-butyl)-pyrrolo[1,2-b]pyridazin-2-one ANADYS PHARMACEUTICALS, INC. (US) 2008-12-09 — — US disclosed
WO-2008073982-A2 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2008-06-19 — — WO disclosed
US-20080031852-A1 PYRRO[1,2-b]PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2008-02-07 — — US disclosed
WO-2007150001-A1 PYRRO[1,2-B]PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2007-12-27 — — 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 (4 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-20090111798-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS HAVCR2, PYGL, HCCS CA12 4800/4885CA2 4838/4885CA9 4776/4885
US-20090312570-A1 PYRRO[1,2-b]PYRIDAZINONE COMPOUNDS HAVCR2, CYP4B1, CYP1B1 CA12 4877/4885CA2 4878/4885CA9 4884/4885
US-20080031852-A1 PYRRO[1,2-b]PYRIDAZINONE COMPOUNDS HAVCR2, CYP4B1, CYP1B1 CA12 4877/4885CA2 4878/4885CA9 4884/4885
US-20090105473-A1 PYRRO[1,2-b]PYRIDAZINONE COMPOUNDS HAVCR2, CYP4B1, CYP1B1 CA12 4877/4885CA2 4878/4885CA9 4884/4885

“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.

Send feedback