SCHEMBL6074092

SCHEMBL6074092

COC(=O)Cc1ccc(S(=O)(=O)Nc2ccc(N3CCC(=O)CC3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
MAPT P10636 6/20 0.51
KMT2A Q03164 3/20 0.51
GFER P55789 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 2/20 0.50
MEN1 O00255 2/20 0.50
RECQL P46063 1/20 0.49
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
USP2 O75604 2/20 0.48
ALOX15 P16050 2/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
TP53 P04637 1/20 0.44

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
SCHEMBL6982597 0.86 ALDH1A1 (0.53) ALDH1A1MAPTKMT2AGFERL3MBTL1
SCHEMBL6074568 0.85 POLB (0.61) ALDH1A1MAPTKMT2AL3MBTL1POLB
SCHEMBL6074493 0.81 KMT2A (0.75) ALDH1A1MAPTKMT2AMEN1RECQL
SCHEMBL6073863 0.80 GFER (0.77) ALDH1A1MAPTKMT2AGFERL3MBTL1
SCHEMBL6074446 0.80 LMNA (0.61) ALDH1A1MAPTPOLBRECQLLMNA
SCHEMBL28751618 0.80 ALDH1A1 (0.56) ALDH1A1MAPTKMT2AGFERL3MBTL1
SCHEMBL6074611 0.79 MEN1 (0.78) ALDH1A1MAPTKMT2AL3MBTL1POLB
SCHEMBL6074374 0.79 POLB (0.59) ALDH1A1MAPTKMT2AGFERL3MBTL1
SCHEMBL6801622 0.79 ALDH1A1 (0.57) ALDH1A1MAPTKMT2AGFERPOLB
SCHEMBL2693160 0.78 ALDH1A1 (0.63) ALDH1A1MAPTKMT2AGFERMEN1

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 ALDH1A1 1091/4885MAPT 565/4885KMT2A 3638/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ALDH1A1 1091/4885MAPT 565/4885KMT2A 3638/4885

“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.