SCHEMBL2632994

SCHEMBL2632994

O=C(NS(=O)(=O)C1CC1)c1cnn(-c2cncc(F)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.59
SCN2B O60939 7/20 0.59
SCN1B Q07699 7/20 0.59
SCN1A P35498 4/20 0.46
SCN5A Q14524 5/20 0.45
RIPK2 O43353 5/20 0.39
MLLT3 P42568 1/20 0.39
MLLT1 Q03111 1/20 0.39
NR1H4 Q96RI1 1/20 0.38
EGLN1 Q9GZT9 1/20 0.37

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
SCHEMBL2626898 0.83 SCN9A (0.43) SCN9ASCN2BSCN1BSCN1ASCN5A
SCHEMBL2626901 0.81 SCN2B (0.42) SCN9ASCN2BSCN1BRIPK2NR1H4
SCHEMBL2626891 0.81 SCN9A (0.59) SCN9ASCN2BSCN1BSCN1ASCN5A
SCHEMBL10074415 0.81 SCN9A (0.41) SCN9ASCN2BSCN1BSCN5ARIPK2
SCHEMBL15747023 0.79 SCN9A (0.48) SCN9ASCN2BSCN1BSCN1ASCN5A
SCHEMBL2626897 0.79 PTGS2 (0.56)
SCHEMBL3411935 0.66 RIPK2 (0.37) SCN9ASCN2BSCN1BSCN1ASCN5A
SCHEMBL2689196 0.66 ELOVL1 (0.41)
SCHEMBL30436806 0.66 SCN2B (0.58) SCN9ASCN2BSCN1BSCN1ASCN5A
SCHEMBL24969042 0.64 SCN9A (0.45) SCN9ASCN2BSCN1BSCN1ASCN5A

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
EP-2558458-B1 NOVEL HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER IP GMBH (DE) 2017-09-06 EP disclosed
US-9339032-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-05-17 US disclosed
US-20140135346-A1 Novel Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2014-05-15 US disclosed
US-8664229-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2014-03-04 US disclosed
US-20120095023-A1 Novel Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2012-04-19 US disclosed
WO-2011128304-A2 NOVEL HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2011-10-20 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 (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-20140135346-A1 Novel Heterocyclic Compounds as Pesticides DDT, PTMS, AADAC SCN9A 2271/4885SCN2B 1293/4885SCN1B 1940/4885
US-20120095023-A1 Novel Heterocyclic Compounds as Pesticides DDT, PTMS, AADAC SCN9A 2271/4885SCN2B 1293/4885SCN1B 1940/4885

“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.