SCHEMBL12089856

SCHEMBL12089856

CC(C)N(C)c1cc2cc(C(=O)NS(C)(=O)=O)ccc2n1-c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 14/20 0.52
SCN2B O60939 9/20 0.52
SCN1B Q07699 9/20 0.52
SCN5A Q14524 8/20 0.52
SCN1A P35498 7/20 0.52
PTPN1 P18031 1/20 0.39
HTR7 P34969 1/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.37
MYC P01106 1/20 0.35

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
SCHEMBL12089439 0.82 SCN9A (0.50) SCN9ASCN2BSCN1BSCN5ASCN1A
SCHEMBL12089433 0.76 HTR2A (0.38) SCN9AHTR7
SCHEMBL17171608 0.71 SCN9A (0.38) SCN9ASCN2BSCN1BSCN5ASCN1A
SCHEMBL7987812 0.69 SCN9A (0.55) SCN9ASCN2BSCN1BSCN5ASCN1A
SCHEMBL12090043 0.68 NAMPT (0.49)
SCHEMBL12089746 0.66 NOTUM (0.55) MYC
SCHEMBL17171603 0.65 NOTUM (0.41)
SCHEMBL10325103 0.62 MAOB (0.57) SCN9ASCN2BSCN1BSCN5ASCN1A
SCHEMBL27871304 0.62 ALDH1A1 (0.49)
SCHEMBL703171 0.62 BCL2L1 (0.59) SCN9ASCN2BSCN1BSCN5ASCN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9675584-B2 Substituted indoles for the inhibition of PASK BIOENERGENIX, LLC (US) 2017-06-13 US disclosed
US-9675584-B2 Substituted indoles for the inhibition of PASK BIOENERGENIX, LLC (US) 2017-06-13 US disclosed
US-20150290169-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX, LLC 2015-10-15 US disclosed
US-20150290169-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX, LLC 2015-10-15 US disclosed
US-9012637-B2 Substituted pyrazinyl acrylic acid compounds for the inhibition of pask BIOENERGENIX, LLC (US) 2015-04-21 US disclosed
US-9012637-B2 Substituted pyrazinyl acrylic acid compounds for the inhibition of pask BIOENERGENIX, LLC (US) 2015-04-21 US disclosed
US-20140235579-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX, LLC 2014-08-21 US disclosed
US-20140235579-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX, LLC 2014-08-21 US disclosed
US-20120225846-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-09-06 US disclosed
US-20120225846-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-09-06 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-20120225846-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 SCN9A 3929/4885SCN2B 4071/4885SCN1B 3079/4885
US-20140235579-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 SCN9A 3929/4885SCN2B 4071/4885SCN1B 3079/4885
US-20150290169-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 SCN9A 3929/4885SCN2B 4071/4885SCN1B 3079/4885

“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.