SCHEMBL26907934

SCHEMBL26907934

O=[SH](=O)NCc1ccc(-n2nnc3cc(OC(F)(F)F)ccc32)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CHRM5 P08912 9/20 0.34
▸ P2RX7 Q99572 2/20 0.34
▸ BRD4 O60885 1/20 0.33
▸ SMURF1 Q9HCE7 2/20 0.33
▸ PIM1 P11309 1/20 0.32
▸ GPR139 Q6DWJ6 2/20 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
SCHEMBL26907939 0.88 MAPT (0.35) SMN1; SMN2
SCHEMBL26907881 0.86 MAPT (0.37) SMN1; SMN2P2RX7
SCHEMBL26908007 0.85 SMN1; SMN2 (0.40) SMN1; SMN2P2RX7BRD4PIM1
SCHEMBL26907842 0.85 S1PR3 (0.35) BRD4
SCHEMBL27115424 0.84 KIF11 (0.38) SMN1; SMN2CHRM5P2RX7BRD4SMURF1
SCHEMBL26907908 0.82 SMO (0.33) PIM1
SCHEMBL26907846 0.82 KCNMA1 (0.37) SMN1; SMN2
SCHEMBL26907967 0.81 KCNMA1 (0.41) SMN1; SMN2
SCHEMBL26907921 0.78 CHRM4 (0.36) —
SCHEMBL26907931 0.78 CHRM4 (0.37) SMN1; SMN2

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 2522/4885CHRM5 4443/4885P2RX7 805/4885

“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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