SCHEMBL11944567

SCHEMBL11944567

CC1(COc2c(N3CCN(S(=O)(=O)c4ccc(O)cc4)CC3)cnn(-c3cc(F)cc(F)c3)c2=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ PPARG P37231 1/20 0.47
▸ NCOA2 Q15596 1/20 0.47
▸ NCOA1 Q15788 1/20 0.47
▸ NCOA3 Q9Y6Q9 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.43
▸ PTGDR Q13258 1/20 0.39
▸ PKM P14618 3/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ GAA P10253 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MAPT P10636 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL11944586 0.90 POLB (0.47) NPSR1POLBCYP3A4CYP2C19PPARG
SCHEMBL11944467 0.90 POLB (0.45) NPSR1POLBCYP3A4CYP2C19PPARG
SCHEMBL11946195 0.90 MAPT (0.38) NPSR1POLBCYP3A4CYP2C19PPARG
SCHEMBL11946043 0.88 MAPT (0.37) NPSR1POLBCYP3A4CYP2C19PPARG
SCHEMBL11945379 0.87 NPSR1 (0.39) NPSR1POLBCYP3A4CYP2C19PPARG
SCHEMBL11945434 0.87 ALDH1A1 (0.45) NPSR1POLBCYP3A4CYP2C19PPARG
SCHEMBL11944688 0.84 POLB (0.38) NPSR1POLBCYP3A4CYP2C19PPARG
SCHEMBL17058382 0.84 SLC2A1 (0.35) NPSR1POLBCYP3A4CYP2C19PPARG
SCHEMBL11944602 0.84 POLB (0.37) NPSR1POLBCYP3A4CYP2C19PPARG
SCHEMBL11946042 0.83 POLB (0.39) NPSR1POLBCYP3A4CYP2C19PPARG

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 NPSR1 4251/4885POLB 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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