SCHEMBL11943585

SCHEMBL11943585

Cc1ccc(Sc2c(N3CCN(S(=O)(=O)C(C)C)CC3)cnn(-c3cc(F)cc(F)c3)c2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MAPK1 P28482 1/20 0.41
CYP17A1 P05093 4/20 0.39
CYP21A2 P08686 4/20 0.39
POLB P06746 3/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
DCTPP1 Q9H773 1/20 0.37
MAPT P10636 1/20 0.37
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL11943580 0.92 CYP3A4 (0.43) ALDH1A1MAPK1CYP17A1CYP21A2POLB
SCHEMBL11943579 0.92 ALDH1A1 (0.44) ALDH1A1CYP17A1CYP21A2POLBCYP3A4
SCHEMBL11943684 0.84 ALDH1A1 (0.43) ALDH1A1CYP17A1CYP21A2POLBCYP3A4
SCHEMBL11943682 0.83 CYP17A1 (0.43) ALDH1A1CYP17A1CYP21A2POLBCYP3A4
SCHEMBL11943707 0.81 CYP17A1 (0.44) ALDH1A1CYP17A1CYP21A2POLBCYP3A4
SCHEMBL17058327 0.80 POLB (0.41) ALDH1A1CYP17A1CYP21A2POLBCYP3A4
SCHEMBL11943569 0.79 MAPT (0.38) ALDH1A1CYP17A1CYP21A2POLBCYP3A4
SCHEMBL11943804 0.77 MAPT (0.41) ALDH1A1CYP17A1CYP21A2POLBCYP3A4
SCHEMBL11943768 0.77 NPY5R (0.39) ALDH1A1CYP17A1CYP21A2POLBCYP3A4
SCHEMBL11943604 0.77 CYP3A4 (0.39) ALDH1A1CYP17A1CYP21A2POLBCYP3A4

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 2437/4885MAPK1 1289/4885CYP17A1 744/4885

“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.