SCHEMBL11945434

SCHEMBL11945434

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.45
▸ DCTPP1 Q9H773 1/20 0.45
▸ POLB P06746 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ NCOA2 Q15596 1/20 0.39
▸ NCOA1 Q15788 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ NCOA3 Q9Y6Q9 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ SLC2A1 P11166 1/20 0.34
▸ SLC2A3 P11169 1/20 0.34
▸ PIK3CA P42336 1/20 0.33
▸ LRRK2 Q5S007 3/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ CYP17A1 P05093 1/20 0.32
▸ CYP21A2 P08686 1/20 0.32

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
SCHEMBL11945379 0.93 NPSR1 (0.39) ALDH1A1DCTPP1POLBCYP3A4CYP2C19
SCHEMBL11944688 0.90 POLB (0.38) ALDH1A1DCTPP1POLBCYP3A4CYP2C19
SCHEMBL11944602 0.89 POLB (0.37) ALDH1A1DCTPP1POLBCYP3A4CYP2C19
SCHEMBL11946017 0.88 MAPT (0.38) ALDH1A1DCTPP1POLBCYP3A4CYP2C19
SCHEMBL17058382 0.87 SLC2A1 (0.35) ALDH1A1DCTPP1POLBCYP3A4CYP2C19
SCHEMBL17058015 0.87 SLC2A1 (0.35) ALDH1A1DCTPP1POLBCYP3A4CYP2C19
SCHEMBL11945879 0.87 POLB (0.36) ALDH1A1DCTPP1POLBCYP3A4CYP2C19
SCHEMBL11944567 0.87 NPSR1 (0.47) ALDH1A1POLBCYP3A4CYP2C19PPARG
SCHEMBL17058202 0.87 SLC2A1 (0.36) ALDH1A1POLBCYP3A4CYP2C19PPARG
SCHEMBL17058114 0.87 ALDH1A1 (0.61) ALDH1A1DCTPP1POLBCYP3A4CYP2C19

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 ALDH1A1 2437/4885DCTPP1 625/4885POLB 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.

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