Sugi Predict

Sugi Predict / Compounds / SCHEMBL11946216

SCHEMBL11946216

SCHEMBL11946216

C=CCCCCOc1c(N2CCN(S(=O)(=O)Cc3ccc(N)cc3)CC2)cnn(-c2cc(F)cc(F)c2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.37
▸ POLB P06746 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ NCOA2 Q15596 1/20 0.35
▸ NCOA1 Q15788 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ DCTPP1 Q9H773 1/20 0.33
▸ SLC2A1 P11166 1/20 0.31
▸ SLC2A3 P11169 1/20 0.31
▸ CA12 O43570 2/20 0.31
▸ CA1 P00915 2/20 0.31
▸ CA2 P00918 2/20 0.31
▸ CA9 Q16790 2/20 0.31
▸ MMP13 P45452 1/20 0.30
▸ NR3C1 P04150 1/20 0.30
▸ MCHR1 Q99705 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
SCHEMBL11946218 0.91 MAPT (0.37) MAPTPOLBCYP3A4CYP2C19PPARG
SCHEMBL13777189 0.88 MAPT (0.35) MAPTPOLBCYP3A4CYP2C19PPARG
SCHEMBL11946219 0.86 MAPT (0.43) MAPTPOLBCYP3A4CYP2C19PPARG
SCHEMBL11945377 0.86 POLB (0.42) MAPTPOLBCYP3A4CYP2C19PPARG
SCHEMBL11945435 0.84 MAPT (0.39) MAPTPOLBCYP3A4CYP2C19PPARG
SCHEMBL11945396 0.84 MAPT (0.43) MAPTPOLBCYP3A4CYP2C19PPARG
SCHEMBL11946157 0.84 MAPT (0.35) MAPTPOLBCYP3A4CYP2C19PPARG
SCHEMBL11946217 0.84 MAPT (0.40) MAPTPOLBCYP3A4CYP2C19PPARG
SCHEMBL11945486 0.83 MAPT (0.37) MAPTPOLBCYP3A4CYP2C19PPARG
SCHEMBL11945372 0.83 POLB (0.40) MAPTPOLBCYP3A4CYP2C19PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2586778-A2 Pyridazinone derivatives useful as glucan synthase inhibitors Merck Sharp & Dohme Corp. (US) 2013-05-01 — — EP disclosed
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
WO-2008115381-A1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2008-09-25 — — WO 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 MAPT 2295/4885POLB 1088/4885CYP3A4 281/4885

“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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