SCHEMBL24392245

SCHEMBL24392245

COc1cnc2c(N3CCC(N(C)S(N)(=O)=O)CC3)ncnn12

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE1B Q01064 3/20 0.36
▸ ENPP1 P22413 6/20 0.35
▸ JAK2 O60674 6/20 0.34
▸ JAK3 P52333 4/20 0.34
▸ JAK1 P23458 2/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ L3MBTL1 Q9Y468 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
SCHEMBL24391819 0.85 JAK2 (0.36) PDE1BJAK2JAK3JAK1PIK3CD
SCHEMBL24392247 0.85 — —
SCHEMBL24391973 0.81 ENPP1 (0.34) PDE1BENPP1JAK2JAK3JAK1
SCHEMBL24392287 0.78 PIK3CD (0.33) PDE1BENPP1JAK2JAK3JAK1
SCHEMBL24391814 0.76 ENPP1 (0.38) PDE1BENPP1JAK2JAK3JAK1
SCHEMBL24392216 0.76 ENPP1 (0.34) PDE1BENPP1JAK2JAK3JAK1
SCHEMBL24391672 0.76 ENPP1 (0.38) PDE1BENPP1JAK2JAK3JAK1
SCHEMBL24391928 0.76 JAK2 (0.36) JAK2JAK3JAK1
SCHEMBL24391941 0.74 JAK2 (0.35) JAK2JAK3JAK1PIK3CDHTR2A
SCHEMBL24391922 0.73 JAK2 (0.36) JAK2JAK3JAK1PIK3CDHTR2A

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
US-20220135598-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2022-05-05 — — US disclosed
WO-2022091048-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2022-05-05 — — 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 (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 PDE1B 37/4885ENPP1 1/4885JAK2 3057/4885

“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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