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Sugi Predict / Compounds / SCHEMBL11945586

SCHEMBL11945586

SCHEMBL11945586

CC(C)S(=O)(=O)N1CCN(c2cn[nH]c(=O)c2-c2cc(F)cc(F)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 5/20 0.43
▸ CYP21A2 P08686 4/20 0.43
▸ POLB P06746 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ TRPC5 Q9UL62 3/20 0.38
▸ CYP11B1 P15538 2/20 0.37
▸ HTR1A P08908 2/20 0.34
▸ HTR1D P28221 2/20 0.34
▸ HTR2A P28223 2/20 0.34
▸ HTR7 P34969 2/20 0.34
▸ HTR2B P41595 2/20 0.34
▸ HTR6 P50406 2/20 0.34
▸ HTR1B P28222 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ NPY5R Q15761 1/20 0.34
▸ TIPARP Q7Z3E1 1/20 0.33
▸ HTR3A P46098 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
SCHEMBL17057825 0.89 CYP17A1 (0.38) CYP17A1CYP21A2POLBALDH1A1TRPC5
SCHEMBL11943707 0.78 CYP17A1 (0.44) CYP17A1CYP21A2POLBALDH1A1CYP11B1
SCHEMBL11945587 0.77 POLB (0.64) POLBALDH1A1TRPC5TIPARP
SCHEMBL11943637 0.75 CYP17A1 (0.43) CYP17A1CYP21A2POLBALDH1A1CYP11B1
SCHEMBL11943631 0.74 POLB (0.47) CYP17A1CYP21A2POLBALDH1A1CYP11B1
SCHEMBL11943630 0.72 POLB (0.42) CYP17A1CYP21A2POLBALDH1A1
SCHEMBL11943711 0.72 CYP17A1 (0.43) CYP17A1CYP21A2POLBALDH1A1CYP11B1
SCHEMBL11943636 0.72 CYP17A1 (0.45) CYP17A1CYP21A2POLBALDH1A1CYP11B1
SCHEMBL11943684 0.72 ALDH1A1 (0.43) CYP17A1CYP21A2POLBALDH1A1CYP11B1
SCHEMBL11943709 0.72 ALDH1A1 (0.48) CYP17A1CYP21A2POLBALDH1A1CYP11B1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2586778-A2 Pyridazinone derivatives useful as glucan synthase inhibitors Merck Sharp & Dohme Corp. (US) 2013-05-01 — — 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
WO-2008115381-A1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2008-09-25 — — WO 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 CYP17A1 744/4885CYP21A2 1120/4885POLB 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.