SCHEMBL774018

SCHEMBL774018

[CH2]CN(C)C1CCN(S(C)(=O)=O)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
POLB P06746 1/20 0.37
PGR P06401 7/20 0.35
CYP2C9 P11712 7/20 0.35
CYP2D6 P10635 6/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LTA4H P09960 1/20 0.34
TP53 P04637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 2/20 0.34
KCNH2 Q12809 1/20 0.33
NPY5R Q15761 3/20 0.33

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
SCHEMBL771377 0.89 POLB (0.41) POLBNPSR1LTA4HTP53ALDH1A1
SCHEMBL8422637 0.84 KMT2A (0.41) KMT2AJAK2JAK1POLBPGR
SCHEMBL8282088 0.80 JAK2 (0.44) KMT2AJAK2JAK1PGRCYP2C9
SCHEMBL8280862 0.80 JAK2 (0.44) KMT2AJAK2JAK1PGRCYP2C9
SCHEMBL8280875 0.80 JAK2 (0.44) KMT2AJAK2JAK1PGRCYP2C9
SCHEMBL16016384 0.78 KMT2A (0.43) KMT2AJAK2JAK1PGRCYP2C9
SCHEMBL8427910 0.76 KMT2A (0.42) KMT2AJAK2JAK1POLBPGR
SCHEMBL771957 0.75 JAK2 (0.41) KMT2AJAK2JAK1PGRCYP2C9
SCHEMBL771751 0.74 POLB (0.51) KMT2APOLBNPSR1TP53ALDH1A1
SCHEMBL8246290 0.74 KMT2A (0.41) KMT2AJAK2JAK1POLBPGR

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 6 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
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

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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 KMT2A 1865/4885JAK2 14/4885JAK1 174/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 KMT2A 1865/4885JAK2 14/4885JAK1 174/4885

“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.