SCHEMBL23579680

SCHEMBL23579680

Cn1ncc2c(NCc3ccc(S(N)(=O)=O)cc3)nc(NC3CCCCC3)nc21

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 1/20 0.55
▸ BCDIN3D Q7Z5W3 16/20 0.53
▸ SHMT2 P34897 1/20 0.51
▸ PDE2A O00408 1/20 0.46

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
SCHEMBL23579870 0.95 BCDIN3D (0.52) HTR2CBCDIN3DSHMT2PDE2A
SCHEMBL13943258 0.85 BCDIN3D (0.59) HTR2CBCDIN3DSHMT2PDE2A
SCHEMBL13944370 0.84 PDE2A (0.65) HTR2CBCDIN3DSHMT2PDE2A
SCHEMBL30033469 0.84 CA1 (0.60) HTR2CBCDIN3DPDE2A
SCHEMBL23579931 0.84 CA1 (0.60) HTR2CBCDIN3DPDE2A
SCHEMBL23579807 0.83 CA1 (0.62) HTR2CBCDIN3DPDE2A
SCHEMBL23580247 0.83 BCDIN3D (0.65) HTR2CBCDIN3DPDE2A
SCHEMBL23580265 0.82 BCDIN3D (0.56) BCDIN3DPDE2A
SCHEMBL23579838 0.80 PDE5A (0.62) HTR2CBCDIN3D
SCHEMBL30034185 0.80 PDE5A (0.62) HTR2CBCDIN3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115151550-B External nucleotide pyrophosphatase/phosphodiesterase 1 (ENPP 1) modulators and uses thereof 桑福德·伯纳姆·普雷比医学发现研究所 2024-11-22 — — CN disclosed
US-20230121698-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2023-04-20 — — US disclosed
EP-4081528-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2022-11-02 — — EP disclosed
WO-2021133915-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2021-07-01 — — WO disclosed
WO-2021133915-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2021-07-01 — — 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-20230121698-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF ENPP1, ENPP3, PPA1 HTR2C 4192/4885BCDIN3D 582/4885SHMT2 1012/4885

“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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