SCHEMBL771958

SCHEMBL771958

CN(C=O)C1CCN(S(C)(=O)=O)C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADH1C P00326 1/20 0.42
ADH1A P07327 1/20 0.42
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.35
NPY5R Q15761 8/20 0.33
PGR P06401 3/20 0.33
CYP2C9 P11712 3/20 0.33
CYP2D6 P10635 2/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PIK3CD O00329 2/20 0.32
PIK3R1 P27986 2/20 0.32
PIK3CA P42336 2/20 0.32
PIK3CB P42338 2/20 0.32

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
SCHEMBL772284 0.89 ADH1C (0.50) ADH1CADH1AJAK2JAK1TP53
SCHEMBL8280862 0.81 JAK2 (0.44) JAK2JAK1KMT2ATP53NPY5R
SCHEMBL8282088 0.81 JAK2 (0.44) JAK2JAK1KMT2ATP53NPY5R
SCHEMBL8280875 0.81 JAK2 (0.44) JAK2JAK1KMT2ATP53NPY5R
SCHEMBL771957 0.76 JAK2 (0.41) JAK2JAK1KMT2ATP53NPY5R
SCHEMBL8422637 0.75 KMT2A (0.41) JAK2JAK1KMT2ATP53NPY5R
SCHEMBL12227449 0.75 JAK2 (0.40) JAK2JAK1KMT2ATP53NPY5R
SCHEMBL12227443 0.75 JAK2 (0.40) JAK2JAK1KMT2ATP53NPY5R
SCHEMBL8238338 0.75 JAK2 (0.40) JAK2JAK1KMT2ATP53NPY5R
SCHEMBL2697933 0.74 NPY5R (0.43) JAK2JAK1TP53NPY5RPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP disclosed
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2006-07-27 US 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 ADH1C 123/4885ADH1A 807/4885JAK2 14/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 ADH1C 87/4885ADH1A 363/4885JAK2 2/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 ADH1C 123/4885ADH1A 807/4885JAK2 14/4885

“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.