SCHEMBL6074331

SCHEMBL6074331

CS(=O)(=O)Nc1ccc(C(=O)CBr)cn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 9/20 0.47
HDAC4 P56524 9/20 0.47
HDAC1 Q13547 9/20 0.47
HDAC7 Q8WUI4 9/20 0.47
HDAC2 Q92769 9/20 0.47
HDAC10 Q969S8 9/20 0.47
HDAC11 Q96DB2 9/20 0.47
HDAC8 Q9BY41 9/20 0.47
HDAC6 Q9UBN7 9/20 0.47
HDAC9 Q9UKV0 9/20 0.47
HDAC5 Q9UQL6 9/20 0.47
GSK3B P49841 3/20 0.42
HCAR3 P49019 5/20 0.42
CYP2C9 P11712 1/20 0.41
NNMT P40261 1/20 0.41
PTPN1 P18031 1/20 0.40
HCAR2 Q8TDS4 2/20 0.39

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
SCHEMBL31661280 0.81 HCAR3 (0.64) GSK3BHCAR3NNMTPTPN1HCAR2
SCHEMBL16865853 0.81 HCAR3 (0.64) GSK3BHCAR3NNMTPTPN1HCAR2
SCHEMBL731875 0.81 HCAR3 (0.64) HCAR3HCAR2
Bromide SCHEMBL16753536 0.80 HCAR3 (0.62) GSK3BHCAR3NNMTPTPN1HCAR2
SCHEMBL1877716 0.80 NNMT (0.65) HCAR3NNMT
SCHEMBL16048631 0.78 MAPK1 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1203341 0.78 PTK2 (0.54) GSK3BHCAR3NNMTPTPN1
SCHEMBL31661260 0.78 HCAR3 (0.69) GSK3BHCAR3NNMTPTPN1HCAR2
SCHEMBL5340574 0.77 KDM4E (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16076748 0.77 HPGD (0.62) HCAR3

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-7022716-B2 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH (US) 2006-04-04 US disclosed
US-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2003-07-31 US disclosed
US-6525202-B2 E.g., substituted (4-amino-5-hydroxyphenyl)-oxy-)piperidinyl thiazolidin-2,4-dione; antidiabetic agents; atherosclerosis, gastrointestinal, metabolic disorders, glaucoma, neurogenetic inflammation, ocular hypertension and frequent urination WYETH 2003-02-25 US disclosed
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2002-03-07 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 (2 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-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 HDAC3 2186/4885HDAC4 2610/4885HDAC1 2422/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 HDAC3 2186/4885HDAC4 2610/4885HDAC1 2422/4885

“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.