SCHEMBL11943580

SCHEMBL11943580

CC(C)S(=O)(=O)N1CCN(c2cnn(-c3cc(F)cc(F)c3)c(=O)c2Sc2ccc(Cl)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
POLB P06746 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
NCOA3 Q9Y6Q9 1/20 0.43
ALDH1A1 P00352 5/20 0.42
DCTPP1 Q9H773 1/20 0.41
MAPT P10636 1/20 0.40
CYP17A1 P05093 5/20 0.39
CYP21A2 P08686 5/20 0.39
CYP11B1 P15538 3/20 0.39
CYP3A5 P20815 1/20 0.36
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL11943585 0.92 ALDH1A1 (0.42) CYP3A4NPSR1POLBCYP2C19PPARG
SCHEMBL11943579 0.91 ALDH1A1 (0.44) CYP3A4NPSR1POLBCYP2C19PPARG
SCHEMBL17058327 0.79 POLB (0.41) CYP3A4NPSR1POLBCYP2C19PPARG
SCHEMBL11943707 0.78 CYP17A1 (0.44) CYP3A4NPSR1POLBCYP2C19PPARG
SCHEMBL11943569 0.78 MAPT (0.38) CYP3A4NPSR1POLBCYP2C19PPARG
SCHEMBL11944490 0.77 CYP3A4 (0.41) CYP3A4NPSR1POLBCYP2C19PPARG
SCHEMBL11943675 0.77 CYP3A4 (0.51) CYP3A4NPSR1POLBCYP2C19PPARG
SCHEMBL11943768 0.77 NPY5R (0.39) CYP3A4NPSR1POLBCYP2C19PPARG
SCHEMBL11943604 0.76 CYP3A4 (0.39) CYP3A4NPSR1POLBCYP2C19PPARG
SCHEMBL11943692 0.76 CYP17A1 (0.40) CYP3A4NPSR1POLBCYP2C19PPARG

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 CYP3A4 281/4885NPSR1 4251/4885POLB 1088/4885

“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.