SCHEMBL27124552

SCHEMBL27124552

NS(=O)(=O)NCc1ccc(-n2nnc3cc(OC(F)(F)F)ccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ENPP1 P22413 4/20 0.39
▸ ENPP3 O14638 1/20 0.39
▸ CA12 O43570 4/20 0.39
▸ CA1 P00915 4/20 0.39
▸ CA2 P00918 4/20 0.39
▸ CA7 P43166 3/20 0.39
▸ RPA1 P27694 1/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ KIF11 P52732 1/20 0.38
▸ CA9 Q16790 1/20 0.36
▸ NAMPT P43490 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35

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
SCHEMBL27115424 0.86 KIF11 (0.38) SMN1; SMN2ENPP1ENPP3CA12CA1
Hydrochloric Acid SCHEMBL27116779 0.85 ENPP1 (0.52) SMN1; SMN2ENPP1ENPP3CA12CA1
SCHEMBL26908007 0.83 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1PIM1KDM4ENPC1
SCHEMBL29770012 0.78 ENPP1 (0.50) SMN1; SMN2ENPP1ENPP3CA12CA1
SCHEMBL27116612 0.78 ENPP1 (0.50) SMN1; SMN2ENPP1ENPP3CA12CA1
SCHEMBL27115150 0.77 CA2 (0.50) SMN1; SMN2ENPP1CA12CA1CA2
SCHEMBL27119504 0.76 ENPP1 (0.47) SMN1; SMN2ENPP1ENPP3CA12CA1
SCHEMBL29769986 0.75 ENPP1 (0.45) SMN1; SMN2ENPP1ENPP3CA12CA1
SCHEMBL29769982 0.75 ENPP1 (0.41) SMN1; SMN2ENPP1ENPP3CA12CA1
SCHEMBL27115153 0.75 ENPP1 (0.45) SMN1; SMN2ENPP1ENPP3CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116882-A1 NOVEL BENZOTRIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY AGAINST ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE, AND USE THEREOF TXINNO BIOSCIENCE INC. (KR) 2024-04-11 — — US claimed
EP-4286374-A1 NOVEL BENZOTRIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY AGAINST ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE, AND USE THEREOF Txinno Bioscience Inc. (KR) 2023-12-06 — — EP claimed
US-20240116882-A1 NOVEL BENZOTRIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY AGAINST ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE, AND USE THEREOF TXINNO BIOSCIENCE INC. (KR) 2024-04-11 — — US disclosed
EP-4286374-A1 NOVEL BENZOTRIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY AGAINST ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE, AND USE THEREOF Txinno Bioscience Inc. (KR) 2023-12-06 — — EP 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-20240116882-A1 NOVEL BENZOTRIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY AGAINST ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE, AND USE THEREOF ENPP1, ENPP3, TPP1 SMN1; SMN2 2522/4885ENPP1 1/4885ENPP3 2/4885

“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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