SCHEMBL6074493

SCHEMBL6074493

COc1ccc(S(=O)(=O)Nc2ccc(N3CCC(=O)CC3)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.75
ALDH1A1 P00352 8/20 0.61
MAPT P10636 6/20 0.61
KDM4E B2RXH2 2/20 0.61
MEN1 O00255 1/20 0.61
PKM P14618 1/20 0.61
BLM P54132 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
ALOX15 P16050 2/20 0.60
MAPK1 P28482 2/20 0.60
HTT P42858 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
LMNA P02545 4/20 0.59
USP2 O75604 2/20 0.59
GAA P10253 2/20 0.58
RECQL P46063 1/20 0.55
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
CA9 Q16790 1/20 0.54

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
SCHEMBL6074568 0.84 POLB (0.61) KMT2AALDH1A1MAPTKDM4EALOX15
SCHEMBL6802799 0.84 LMNA (0.61) KMT2AALDH1A1MAPTKDM4EMEN1
SCHEMBL6074894 0.84 KMT2A (0.54) KMT2AALDH1A1MAPTMEN1SMN1; SMN2
SCHEMBL6073585 0.84 ALDH1A1 (0.62) KMT2AALDH1A1MAPTMEN1PKM
SCHEMBL28751618 0.83 ALDH1A1 (0.56) KMT2AALDH1A1MAPTMEN1SMN1; SMN2
SCHEMBL6074068 0.83 CES1 (0.61) KMT2AALDH1A1MAPTMEN1TDP1
SCHEMBL6074563 0.82 SMN1; SMN2 (0.59) KMT2AALDH1A1MEN1SMN1; SMN2LMNA
SCHEMBL738227 0.82 HTR3E (0.59) KMT2AALDH1A1MAPTMEN1SMN1; SMN2
SCHEMBL6074092 0.81 ALDH1A1 (0.54) KMT2AALDH1A1MAPTKDM4EMEN1
SCHEMBL6073863 0.81 GFER (0.77) KMT2AALDH1A1MAPTKDM4EMEN1

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
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
EP-1301482-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS Wyeth (US) 2003-04-16 EP 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
WO-2002006232-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 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 (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 KMT2A 3638/4885ALDH1A1 1091/4885MAPT 565/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 KMT2A 3638/4885ALDH1A1 1091/4885MAPT 565/4885

“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.