SCHEMBL6074051

SCHEMBL6074051

COc1ccc(S(=O)(=O)Nc2ccc(N3CCC4(CC3)OCCO4)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.74
ALDH1A1 P00352 7/20 0.60
MAPT P10636 5/20 0.55
ALOX15 P16050 2/20 0.55
MAPK1 P28482 2/20 0.55
HTT P42858 1/20 0.55
KDM4E B2RXH2 2/20 0.55
USP2 O75604 2/20 0.55
MEN1 O00255 2/20 0.55
PKM P14618 1/20 0.55
BLM P54132 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
GAA P10253 2/20 0.54
LMNA P02545 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
POLB P06746 2/20 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
SCHEMBL6075221 0.84 POLB (0.77) KMT2AALDH1A1MAPTMAPK1KDM4E
SCHEMBL737198 0.83 POLB (0.58) KMT2AALDH1A1MAPTKDM4EMEN1
SCHEMBL6074493 0.80 KMT2A (0.75) KMT2AALDH1A1MAPTALOX15MAPK1
SCHEMBL17893806 0.79 PKM (0.49) KMT2AALDH1A1MAPTMAPK1KDM4E
SCHEMBL3179675 0.78 POLB (0.53) KMT2AALDH1A1MAPTMAPK1KDM4E
SCHEMBL6800812 0.76 MAPT (0.49) KMT2AALDH1A1MAPTMAPK1KDM4E
SCHEMBL790294 0.75 GAA (0.86) KMT2AALDH1A1MAPTMAPK1HTT
SCHEMBL6799370 0.75 SMN1; SMN2 (0.67) KMT2AALDH1A1MAPTMAPK1HTT
SCHEMBL10394428 0.75 AKR1C3 (0.54) ALDH1A1KDM4EPKMPOLB
SCHEMBL6074772 0.74 GHSR (0.62) POLB

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.