Sugi Predict

Sugi Predict / Compounds / SCHEMBL11945433

SCHEMBL11945433

SCHEMBL11945433

CC1(COc2c(N3CCN(S(=O)(=O)Cc4cccc(C#N)c4)CC3)cnn(-c3cccc(Cl)c3)c2=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ NCOA2 Q15596 1/20 0.43
▸ NCOA1 Q15788 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ NCOA3 Q9Y6Q9 1/20 0.43
▸ MMP13 P45452 2/20 0.42
▸ MMP14 P50281 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ NPBWR1 P48145 3/20 0.42
▸ MCHR1 Q99705 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.38
▸ DCTPP1 Q9H773 1/20 0.38
▸ TP53 P04637 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ PKM P14618 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
SCHEMBL11945312 0.93 POLB (0.44) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL11944745 0.90 MAPT (0.51) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL11945391 0.90 POLB (0.51) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL11945357 0.90 POLB (0.46) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL11945905 0.89 POLB (0.42) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL11945735 0.89 NPSR1 (0.42) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL11945654 0.89 NPSR1 (0.42) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL4139207 0.89 POLB (0.45) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL4141914 0.89 POLB (0.45) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL4147841 0.89 POLB (0.45) POLBCYP3A4CYP2C19PPARGNCOA2

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 5 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
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 POLB 1088/4885CYP3A4 281/4885CYP2C19 461/4885

“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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