SCHEMBL24010050

SCHEMBL24010050

COc1ccc2c(-c3ccc(CS(C)(=N)=O)cn3)ccnc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.52
ENPP1 P22413 1/20 0.52
WNT3A P56704 1/20 0.46
TLR8 Q9NR97 3/20 0.45
HTR1A P08908 2/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
KCNH2 Q12809 1/20 0.41
GRM4 Q14833 1/20 0.41
FERMT2 Q96AC1 1/20 0.39
DYRK1A Q13627 1/20 0.39
MET P08581 6/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.37
PRKACG P22612 1/20 0.37
CCNT1 O60563 1/20 0.36
CCNK O75909 1/20 0.36
CDK1 P06493 1/20 0.36

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
SCHEMBL24008922 0.89 ENPP3 (0.50) ENPP3ENPP1WNT3ATLR8HTR1A
SCHEMBL22407444 0.88 ENPP3 (0.58) ENPP3ENPP1WNT3ATLR8HTR1A
SCHEMBL24010159 0.85 ENPP3 (0.66) ENPP3ENPP1WNT3ATLR8HTR1A
SCHEMBL20782855 0.81 ENPP1 (0.76) ENPP3ENPP1WNT3ATLR8HTR1A
SCHEMBL24009215 0.79 MET (0.48) ENPP3ENPP1HTR1AADRA1DADRA1A
SCHEMBL26402796 0.79 MET (0.47) ENPP3ENPP1HTR1AADRA1DADRA1A
SCHEMBL24009105 0.77 ENPP3 (0.64) ENPP3ENPP1WNT3ATLR8HTR1A
SCHEMBL24009119 0.74 ENPP1 (0.78) ENPP3ENPP1WNT3ATLR8HTR1A
SCHEMBL24008908 0.73 ENPP3 (0.46) ENPP3ENPP1WNT3ATLR8KCNH2
SCHEMBL22407431 0.73 ENPP1 (0.74) ENPP3ENPP1WNT3ATLR8HTR1A

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-11780849-B2 Imino sulfanone inhibitors of ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-11780849-B2 Imino sulfanone inhibitors of ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-20230002406-A1 IMINO SULFANONE INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-01-05 US disclosed
WO-2021225969-A1 IMINO SULFANONE INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2021-11-11 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-11780849-B2 Imino sulfanone inhibitors of ENPP1 ENPP1, ENPP3, SMPD1 ENPP3 2/4885ENPP1 1/4885WNT3A 4387/4885
US-20230002406-A1 IMINO SULFANONE INHIBITORS OF ENPP1 ENPP1, ENPP3, SMPD1 ENPP3 2/4885ENPP1 1/4885WNT3A 4387/4885

“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.