SCHEMBL11944576

SCHEMBL11944576

CC(C)NC(=O)OCC1(COc2c(N3CCN(S(=O)(=O)Cc4ccccc4)CC3)cnn(-c3cc(F)cc(F)c3)c2=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.38
▸ CYP2C19 P33261 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ DCTPP1 Q9H773 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ NCOA2 Q15596 1/20 0.33
▸ NCOA1 Q15788 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ NCOA3 Q9Y6Q9 1/20 0.33
▸ CTSK P43235 1/20 0.32
▸ SPR P35270 1/20 0.32
▸ LMNA P02545 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
SCHEMBL11945259 0.93 MAPT (0.33) MAPTCYP2C19POLBCYP3A4PPARG
SCHEMBL11944568 0.92 MAPT (0.40) MAPTCYP2C19GAATSHRMAPK1
SCHEMBL11944592 0.91 ALDH1A1 (0.32) MAPTCYP2C19ALDH1A1POLBCYP3A4
SCHEMBL11944469 0.90 MAPT (0.41) MAPTCYP2C19GAATSHRMAPK1
SCHEMBL11945310 0.89 MAPT (0.42) MAPTCYP2C19GAATSHRMAPK1
SCHEMBL11945264 0.88 MAPK1 (0.41) MAPTCYP2C19GAATSHRMAPK1
SCHEMBL11944588 0.88 NPY5R (0.33) MAPTCYP2C19ALDH1A1DCTPP1POLB
SCHEMBL11944464 0.87 MAPT (0.43) MAPTCYP2C19GAATSHRMAPK1
SCHEMBL11946137 0.86 MAPT (0.46) MAPTCYP2C19GAATSHRMAPK1
SCHEMBL14081548 0.86 MAPT (0.39) MAPTCYP2C19GAATSHRMAPK1

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 MAPT 2295/4885CYP2C19 461/4885GAA 21/4885

“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