SCHEMBL11944476

SCHEMBL11944476

CC(C)(C)[S+]([O-])N1CCN(c2cnn(-c3cc(F)cc(F)c3)c(=O)c2OC2CCC(F)C2)CC1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.33
▸ SLC2A3 P11169 1/20 0.33
▸ NPBWR1 P48145 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ POLB P06746 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ NCOA2 Q15596 1/20 0.32
▸ NCOA1 Q15788 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ NCOA3 Q9Y6Q9 1/20 0.32
▸ DCTPP1 Q9H773 1/20 0.31
▸ TP53 P04637 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HPGDS O60760 1/20 0.30

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
SCHEMBL17058024 0.89 SLC2A1 (0.33) SLC2A1SLC2A3MCHR1POLBCYP3A4
SCHEMBL11944874 0.87 SMN1; SMN2 (0.36) SLC2A1SLC2A3NPBWR1MCHR1POLB
SCHEMBL17057942 0.86 POLB (0.42) SLC2A1SLC2A3NPBWR1MCHR1POLB
SCHEMBL17057810 0.85 SLC2A1 (0.33) SLC2A1SLC2A3POLBCYP3A4CYP2C19
SCHEMBL17058415 0.85 SLC2A1 (0.37) SLC2A1SLC2A3NPBWR1MCHR1POLB
SCHEMBL11944477 0.84 POLB (0.37) SLC2A1SLC2A3NPBWR1MCHR1POLB
SCHEMBL11945834 0.84 NPBWR1 (0.48) NPBWR1MCHR1TP53LMNASMN1; SMN2
SCHEMBL11945844 0.83 ALDH1A1 (0.46) SLC2A1SLC2A3POLBCYP3A4CYP2C19
SCHEMBL11945843 0.83 ALDH1A1 (0.46) SLC2A1SLC2A3POLBCYP3A4CYP2C19
SCHEMBL17058083 0.83 HTR1A (0.35) SLC2A1SLC2A3POLBCYP3A4CYP2C19

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
EP-2137179-B1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2015-09-02 — — EP disclosed
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 SLC2A1 1099/4885SLC2A3 1447/4885NPBWR1 4643/4885

“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