SCHEMBL11944047

SCHEMBL11944047

CCCS(=O)(=O)N1CCC(Oc2c(N3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)cnn(-c3cccc(Cl)c3)c2=O)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 3/20 0.49
▸ POLB P06746 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ PPARG P37231 1/20 0.49
▸ NCOA2 Q15596 1/20 0.49
▸ NCOA1 Q15788 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ NCOA3 Q9Y6Q9 1/20 0.49
▸ MAPT P10636 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ CYP2D6 P10635 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ GLA P06280 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ FPR2 P25090 4/20 0.38
▸ PROKR1 Q8TCW9 4/20 0.38

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
SCHEMBL11944046 0.90 ALDH1A1 (0.49) CYP2C19POLBCYP3A4PPARGNCOA2
SCHEMBL11945179 0.87 MAPT (0.44) CYP2C19POLBCYP3A4PPARGNCOA2
SCHEMBL11944059 0.87 MAPT (0.49) CYP2C19POLBCYP3A4PPARGNCOA2
SCHEMBL11945082 0.84 MAPT (0.52) CYP2C19POLBCYP3A4PPARGNCOA2
SCHEMBL11944162 0.83 MAPT (0.43) CYP2C19POLBCYP3A4PPARGNCOA2
SCHEMBL11953298 0.83 MAPT (0.43) CYP2C19POLBCYP3A4PPARGNCOA2
SCHEMBL11945084 0.82 MAPT (0.50) CYP2C19POLBCYP3A4PPARGNCOA2
SCHEMBL11945846 0.82 MAPT (0.48) CYP2C19POLBCYP3A4PPARGNCOA2
SCHEMBL11945044 0.81 MAPT (0.53) CYP2C19POLBCYP3A4PPARGNCOA2
SCHEMBL11945180 0.81 ALDH1A1 (0.55) CYP2C19POLBCYP3A4PPARGNCOA2

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 CYP2C19 461/4885POLB 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.

Send feedback