SCHEMBL6073585

SCHEMBL6073585

COc1ccc(S(=O)(=O)Nc2ccc(N3CCC(=O)CC3)cc2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
KMT2A Q03164 6/20 0.62
MEN1 O00255 5/20 0.62
MAPT P10636 3/20 0.62
LMNA P02545 3/20 0.61
HTT P42858 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
MAPK1 P28482 2/20 0.59
CA12 O43570 1/20 0.59
CA9 Q16790 1/20 0.59
ALOX15 P16050 1/20 0.56
TSHR P16473 2/20 0.53
USP2 O75604 1/20 0.53
HSP90AA1 P07900 1/20 0.53
HSP90AB1 P08238 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
PKM P14618 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL6802799 0.93 LMNA (0.61) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL6074493 0.84 KMT2A (0.75) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL6074563 0.81 SMN1; SMN2 (0.59) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL6074296 0.81 MAPT (0.61) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL6074309 0.79 MAPT (0.61) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL3544939 0.77 LMNA (0.51) ALDH1A1KMT2AMEN1LMNAUSP2
SCHEMBL28751618 0.77 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL6074068 0.77 CES1 (0.61) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL2342222 0.77 KMT2A (1.00) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL6074981 0.76 CYP3A4 (0.54) ALDH1A1KMT2AMEN1MAPTLMNA

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 1091/4885KMT2A 3638/4885MEN1 2224/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ALDH1A1 1091/4885KMT2A 3638/4885MEN1 2224/4885

“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.