SCHEMBL24391973

SCHEMBL24391973

COc1cc(C)c2c(N3CCC(N(C)S(N)(=O)=O)CC3)ncnn12

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 5/20 0.34
▸ JAK2 O60674 4/20 0.33
▸ PIK3CD O00329 4/20 0.33
▸ JAK3 P52333 2/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ MCOLN3 Q8TDD5 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PDE1B Q01064 1/20 0.32
▸ PDE2A O00408 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.32

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
SCHEMBL24391941 0.87 JAK2 (0.35) JAK2PIK3CDJAK3JAK1MEN1
SCHEMBL24392295 0.85 JAK2 (0.34) JAK2PIK3CDJAK3JAK1MEN1
SCHEMBL24391905 0.85 JAK2 (0.34) JAK2PIK3CDJAK3JAK1MEN1
SCHEMBL24391613 0.85 JAK2 (0.34) JAK2PIK3CDJAK3JAK1MEN1
SCHEMBL24391975 0.85 — —
SCHEMBL24391628 0.85 JAK2 (0.36) JAK2PIK3CDJAK3JAK1
SCHEMBL24392395 0.85 ENPP1 (0.33) ENPP1PIK3CDPDE2A
SCHEMBL24392257 0.84 PDE2A (0.39) ENPP1PIK3CDL3MBTL1PDE1BPDE2A
SCHEMBL24392282 0.84 MEN1 (0.35) ENPP1MEN1KMT2AHTTMCOLN3
SCHEMBL24392245 0.81 PDE1B (0.36) ENPP1JAK2PIK3CDJAK3JAK1

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 ENPP1 1/4885JAK2 3057/4885PIK3CD 544/4885

“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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