SCHEMBL11944928

SCHEMBL11944928

COc1cccc2c1CCC(Oc1c(N3CCN(S(=O)(=O)N(C)C)CC3)cnn(-c3cc(F)cc(F)c3)c1=O)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ ACHE P22303 2/20 0.39
▸ SLC2A1 P11166 2/20 0.37
▸ SLC2A3 P11169 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ NCOA2 Q15596 1/20 0.37
▸ NCOA1 Q15788 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ NCOA3 Q9Y6Q9 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ DRD4 P21917 3/20 0.35
▸ DRD2 P14416 2/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ TNF P01375 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
SCHEMBL11944473 0.95 SLC2A1 (0.38) CA1CA2ACHESLC2A1SLC2A3
SCHEMBL11944948 0.92 SLC2A1 (0.37) SLC2A1SLC2A3POLBCYP3A4CYP2C19
SCHEMBL11944933 0.92 ALDH1A1 (0.41) CA1CA2ACHESLC2A1SLC2A3
SCHEMBL11944861 0.90 ALDH1A1 (0.38) CA1CA2SLC2A1SLC2A3POLB
SCHEMBL11944925 0.90 SLC2A1 (0.37) CA1CA2ACHESLC2A1SLC2A3
SCHEMBL11944917 0.89 POLB (0.38) SLC2A1SLC2A3POLBCYP3A4CYP2C19
SCHEMBL11944935 0.88 CA1 (0.37) CA1CA2ACHESLC2A1SLC2A3
SCHEMBL11944926 0.87 MEN1 (0.39) SLC2A1SLC2A3POLBCYP3A4CYP2C19
SCHEMBL11944333 0.86 ALDH1A1 (0.42) SLC2A1SLC2A3POLBCYP3A4CYP2C19
SCHEMBL17057978 0.86 SLC2A1 (0.39) SLC2A1SLC2A3MEN1KMT2ADRD4

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-8232274-B2 Pyridazinone derivatives useful as glucan synthase inhibitors ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-31 — — US disclosed
US-8232274-B2 Pyridazinone derivatives useful as glucan synthase inhibitors ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-31 — — US disclosed
US-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors SCHERING CORPORATION AND ALBANY MOLECULAR RESEARCH, INC. 2009-07-02 — — US disclosed
US-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors SCHERING CORPORATION AND ALBANY MOLECULAR RESEARCH, INC. 2009-07-02 — — US 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-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors MAN2A1, GYS2, MANBA CA1 4563/4885CA2 3206/4885ACHE 1712/4885

“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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