SCHEMBL19283068

SCHEMBL19283068

Cc1ccc(C(=O)CC(C(=O)S)C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ MAPT P10636 4/20 0.45
▸ LMNA P02545 4/20 0.45
▸ RAB9A P51151 4/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ ATM Q13315 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CA2 P00918 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ HSD11B1 P28845 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ CES2 O00748 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL19283069 0.84 KMT2A (0.47) GSK3BALDH1A1KMT2AMAPTLMNA
SCHEMBL5186542 0.83 PTPN1 (0.54) GSK3BALDH1A1MAPTHSD11B1CES2
SCHEMBL6902380 0.79 GSK3B (0.48) GSK3BALDH1A1KMT2AMAPTLMNA
SCHEMBL6902376 0.79 GSK3B (0.48) GSK3BALDH1A1KMT2AMAPTLMNA
SCHEMBL11193120 0.77 GSK3B (0.50) GSK3BALDH1A1KMT2AMAPTLMNA
SCHEMBL30340784 0.73 GSK3B (0.53) GSK3BALDH1A1KMT2AMAPTLMNA
SCHEMBL21470081 0.72 GSK3B (0.57) GSK3BALDH1A1KMT2AMAPTLMNA
SCHEMBL507140 0.72 GSK3B (0.57) GSK3BALDH1A1KMT2AMAPTLMNA
SCHEMBL23409917 0.71 PDE4D (0.49) MAPTLMNARAB9ANPC1POLB
SCHEMBL31274029 0.71 GSK3B (0.55) GSK3BALDH1A1KMT2AMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170247335-A1 FLUORINATED PYRIDAZIN-3-ONES FOR THE USE THEREOF IN THE TREATMENT OF LUNG DISEASES INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-08-31 — — 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-20170247335-A1 FLUORINATED PYRIDAZIN-3-ONES FOR THE USE THEREOF IN THE TREATMENT OF LUNG DISEASES PEX3, NCOA3, NCAPD3 GSK3B 1478/4885ALDH1A1 3096/4885KMT2A 1471/4885

“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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