SCHEMBL24010243

SCHEMBL24010243

COc1ccc2c(Oc3ccc(S(C)(=N)=O)cc3)c(C)cnc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.44
PTGS2 P35354 3/20 0.44
GABRA1 P14867 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA6 Q16445 2/20 0.38
HTR6 P50406 1/20 0.37
TP53 P04637 3/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 2/20 0.37
GABRA2 P47869 1/20 0.37
CYP2C9 P11712 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
RAF1 P04049 1/20 0.36
MAP2K1 Q02750 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
SCHEMBL20782556 0.87 CA2 (0.43) PTGS1PTGS2ALDH1A1HTTLMNA
SCHEMBL24010118 0.84 MAP2K1 (0.49) MAPTRAF1MAP2K1
SCHEMBL20782868 0.79 CA1 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL25684089 0.78 MAP2K1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL24837325 0.78 MET (0.51) CYP3A4
SCHEMBL24837431 0.78 MET (0.51) CYP3A4
SCHEMBL24009212 0.78 MET (0.51) CYP3A4
SCHEMBL24009092 0.78 CSF1R (0.56) LMNARAF1
SCHEMBL22407370 0.76 RAF1 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL24008874 0.75 PDE4B (0.50) TP53POLBMAPTALDH1A1HTT

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 PTGS1 194/4885PTGS2 488/4885GABRA1 3965/4885
US-20230002406-A1 IMINO SULFANONE INHIBITORS OF ENPP1 ENPP1, ENPP3, SMPD1 PTGS1 194/4885PTGS2 488/4885GABRA1 3965/4885

“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.