SCHEMBL24392282

SCHEMBL24392282

COc1cc(C)c2c(N3CCC(N(C)S(N)(=O)=O)CC3)nc(C)nn12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ MCOLN3 Q8TDD5 1/20 0.35
▸ CHRM4 P08173 1/20 0.32
▸ HTR2A P28223 2/20 0.31
▸ HTR2C P28335 2/20 0.31
▸ ENPP1 P22413 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA3 P07451 1/20 0.31
▸ CA4 P22748 1/20 0.31
▸ CA6 P23280 1/20 0.31
▸ CA5A P35218 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CA9 Q16790 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
SCHEMBL24392336 0.89 ENPP1 (0.32) HTR2AENPP1
SCHEMBL24392278 0.85 — —
SCHEMBL24391973 0.84 ENPP1 (0.34) MEN1KMT2AL3MBTL1HTTMCOLN3
SCHEMBL24392579 0.80 — —
SCHEMBL24392071 0.78 ENPP1 (0.34) MEN1KMT2AL3MBTL1HTTMCOLN3
SCHEMBL24392350 0.77 BDKRB1 (0.31) —
SCHEMBL24391912 0.77 RORC (0.32) HTR2AHTR2C
SCHEMBL24391894 0.77 CHRM4 (0.52) MEN1KMT2AL3MBTL1CHRM4HTR2A
SCHEMBL24392502 0.76 BDKRB1 (0.33) CA12CA1CA2CA3CA4
SCHEMBL24392276 0.75 PDE10A (0.33) MEN1KMT2AHTR2AHTR2C

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 MEN1 2462/4885KMT2A 3970/4885L3MBTL1 4186/4885

“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.

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