SCHEMBL27122479

SCHEMBL27122479

CC(C)Oc1ccc2c(c1)nnn2-c1ccc(CNS(N)(=O)=O)cc1F

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.37
▸ ENPP1 P22413 2/20 0.36
▸ ENPP3 O14638 1/20 0.36
▸ S1PR3 Q99500 9/20 0.36
▸ RORC P51449 3/20 0.35
▸ NR3C2 P08235 1/20 0.35
▸ BRD4 O60885 1/20 0.34

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
SCHEMBL29769974 1.00 TP53 (0.37) TP53ENPP1ENPP3S1PR3RORC
SCHEMBL27117840 0.89 ENPP1 (0.46) TP53ENPP1ENPP3NR3C2
SCHEMBL27121994 0.88 ENPP1 (0.39) ENPP1ENPP3S1PR3NR3C2
SCHEMBL27115424 0.86 KIF11 (0.38) ENPP1ENPP3NR3C2BRD4
SCHEMBL26907842 0.85 S1PR3 (0.35) TP53S1PR3BRD4
SCHEMBL29769981 0.84 NR3C2 (0.40) NR3C2
SCHEMBL27115414 0.84 NR3C2 (0.40) NR3C2
SCHEMBL29769992 0.82 MAOB (0.36) ENPP1S1PR3NR3C2
SCHEMBL27117654 0.82 MAOB (0.36) ENPP1S1PR3NR3C2
SCHEMBL27120199 0.81 KCNMA1 (0.42) ENPP1NR3C2

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 TP53 4110/4885ENPP1 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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