SCHEMBL4857564

SCHEMBL4857564

Cc1ccc(=NS(=O)(=O)C(F)(F)F)n(-c2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2B O60939 2/20 0.44
SCN1B Q07699 2/20 0.44
SCN5A Q14524 2/20 0.44
SCN9A Q15858 2/20 0.44
SCN1A P35498 1/20 0.43
PTGS2 P35354 1/20 0.41
HTT P42858 1/20 0.40
HSD17B10 Q99714 2/20 0.40
FFAR1 O14842 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CDK7 P50613 1/20 0.39
CCNH P51946 1/20 0.39
CCNA1 P78396 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
CYP1A2 P05177 3/20 0.38
TSHR P16473 1/20 0.38
CYP3A4 P08684 2/20 0.38

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
SCHEMBL4857558 1.00 SCN2B (0.44) SCN2BSCN1BSCN5ASCN9ASCN1A
SCHEMBL4857619 0.86 FFAR1 (0.45) SCN2BSCN1BSCN5ASCN9ASCN1A
SCHEMBL4857610 0.86 FFAR1 (0.45) SCN2BSCN1BSCN5ASCN9ASCN1A
SCHEMBL14269328 0.80 CTSK (0.40) SCN2BSCN1BSCN5ASCN9ASCN1A
SCHEMBL4852270 0.80 CTSK (0.40) SCN2BSCN1BSCN5ASCN9ASCN1A
SCHEMBL4850390 0.79 ALDH1A1 (0.40) SCN2BSCN1BSCN5ASCN9ASCN1A
SCHEMBL14269331 0.79 ALDH1A1 (0.40) SCN2BSCN1BSCN5ASCN9ASCN1A
SCHEMBL4852106 0.79 NOTUM (0.46) SCN2BSCN1BSCN5ASCN9ASCN1A
SCHEMBL4852112 0.79 NOTUM (0.46) SCN2BSCN1BSCN5ASCN9ASCN1A
SCHEMBL4850388 0.79 ALDH1A1 (0.40) SCN2BSCN1BSCN5ASCN9ASCN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329757-B2 Substituted iminoazines BAYER AKTIENGESELLSCHAFT (DE) 2008-02-12 US disclosed
US-7186834-B2 Substituted iminoazines BAYER AKTIENGESELLSCHAFT (DE) 2007-03-06 US disclosed
US-20060122062-A1 Substituted iminoazines MULLER KLAUS-HELMUT 2006-06-08 US disclosed
US-20040029881-A1 Substituted iminoazines BAYER AKTIENGESELLSCHAFT (DE) 2004-02-12 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 (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-20060122062-A1 Substituted iminoazines IDH2, DDT, CYP1A2 SCN2B 1183/4885SCN1B 743/4885SCN5A 616/4885
US-20040029881-A1 Substituted iminoazines CYP4Z1, DDT, CYP1A1 SCN2B 826/4885SCN1B 265/4885SCN5A 235/4885

“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.