SCHEMBL27117654

SCHEMBL27117654

NS(=O)(=O)NCc1ccc(-n2nnc3cc(O)ccc32)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.36
▸ KIF11 P52732 1/20 0.36
▸ NR3C2 P08235 1/20 0.36
▸ CA2 P00918 5/20 0.34
▸ CA1 P00915 4/20 0.34
▸ CA12 O43570 3/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ CA7 P43166 2/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ PIM1 P11309 1/20 0.32
▸ KCNMA1 Q12791 2/20 0.32
▸ S1PR3 Q99500 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ MAP2K1 Q02750 1/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ ENPP1 P22413 1/20 0.30
▸ CA13 Q8N1Q1 1/20 0.30
▸ HSP90AA1 P07900 1/20 0.30

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
SCHEMBL29769992 1.00 MAOB (0.36) MAOBKIF11NR3C2CA2CA1
SCHEMBL27115414 0.87 NR3C2 (0.40) KIF11NR3C2CA2CA1CA12
SCHEMBL29769981 0.87 NR3C2 (0.40) KIF11NR3C2CA2CA1CA12
SCHEMBL27120199 0.86 KCNMA1 (0.42) KIF11NR3C2CA2CA1CA12
SCHEMBL27117840 0.85 ENPP1 (0.46) KIF11NR3C2CA2CA1CA12
SCHEMBL27121994 0.83 ENPP1 (0.39) KIF11NR3C2CA2CA1CA12
SCHEMBL27115424 0.83 KIF11 (0.38) KIF11NR3C2CA2CA1CA12
SCHEMBL26907908 0.83 SMO (0.33) MAOBESR1ESR2PIM1KCNMA1
SCHEMBL29769974 0.82 TP53 (0.37) NR3C2S1PR3ENPP1
SCHEMBL27122479 0.82 TP53 (0.37) NR3C2S1PR3ENPP1

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 MAOB 1265/4885KIF11 2829/4885NR3C2 2127/4885

“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.

Send feedback