SCHEMBL24392011

SCHEMBL24392011

CN(C1CCNCC1)S(N)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
GABRA1 P14867 1/20 0.37
TSHR P16473 1/20 0.37
GABRG2 P18507 1/20 0.37
NFKB1 P19838 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRA6 Q16445 1/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
APLNR P35414 2/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL195898 0.84
SCHEMBL24393346 0.81 ALDH1A1 (0.42) LMNAKDM4EMEN1ALDH1A1KMT2A
SCHEMBL296911 0.80 SLC6A2 (0.39) LMNACYP3A4GABRA1TSHRGABRG2
SCHEMBL24393396 0.79 ALDH1A1 (0.46) LMNAKDM4EMEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL231312 0.78 SLC6A2 (0.38) LMNACYP3A4GABRA1TSHRGABRG2
SCHEMBL24052200 0.77 ALDH1A1 (0.48) LMNAKDM4EMEN1ALDH1A1KMT2A
SCHEMBL2763372 0.77 LMNA (0.40) LMNACYP3A4GABRA1TSHRGABRG2
SCHEMBL26005110 0.77 SLC6A4 (0.38) LMNACYP3A4GABRA1TSHRGABRG2
SCHEMBL24392486 0.76 GABRA1 (0.38) LMNACYP3A4GABRA1TSHRGABRG2
SCHEMBL24392260 0.75 LMNA (0.34) LMNACYP3A4GABRA1TSHRGABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022091048-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2022-05-05 WO disclosed
US-20220135598-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2022-05-05 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 (1 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-20220135598-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, ENPP2 LMNA 3740/4885CYP3A4 2491/4885GABRA1 3905/4885

“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.