SCHEMBL11944713

SCHEMBL11944713

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.54
▸ DCTPP1 Q9H773 1/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.51
▸ POLB P06746 2/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ PPARG P37231 1/20 0.51
▸ NCOA2 Q15596 1/20 0.51
▸ NCOA1 Q15788 1/20 0.51
▸ NCOA3 Q9Y6Q9 1/20 0.51
▸ MAPT P10636 3/20 0.46
▸ NPBWR1 P48145 2/20 0.43
▸ MCHR1 Q99705 2/20 0.43
▸ LMNA P02545 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CYP11B2 P19099 1/20 0.40
▸ PTGS2 P35354 1/20 0.39

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
SCHEMBL11945431 0.93 POLB (0.51) ALDH1A1DCTPP1NPSR1POLBCYP3A4
SCHEMBL11945292 0.91 POLB (0.50) ALDH1A1DCTPP1NPSR1POLBCYP3A4
SCHEMBL11944142 0.91 POLB (0.49) ALDH1A1DCTPP1NPSR1POLBCYP3A4
SCHEMBL11944747 0.91 POLB (0.58) ALDH1A1DCTPP1NPSR1POLBCYP3A4
SCHEMBL17058114 0.90 ALDH1A1 (0.61) ALDH1A1DCTPP1NPSR1POLBCYP3A4
SCHEMBL11945980 0.90 POLB (0.49) ALDH1A1DCTPP1NPSR1POLBCYP3A4
SCHEMBL11944603 0.90 POLB (0.49) ALDH1A1DCTPP1NPSR1POLBCYP3A4
SCHEMBL11944768 0.89 POLB (0.48) ALDH1A1DCTPP1NPSR1POLBCYP3A4
SCHEMBL14081038 0.89 TP53 (0.48) ALDH1A1DCTPP1NPSR1POLBCYP3A4
SCHEMBL11944830 0.89 ALDH1A1 (0.52) ALDH1A1DCTPP1NPSR1POLBCYP3A4

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 ALDH1A1 2437/4885DCTPP1 625/4885NPSR1 4251/4885

“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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