SCHEMBL6074563

SCHEMBL6074563

COc1ccc(OC)c(S(=O)(=O)Nc2ccc(N3CCC(=O)CC3)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.59
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
LMNA P02545 1/20 0.59
ALOX12 P18054 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.58
ALDH1A1 P00352 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
POLB P06746 2/20 0.55
TRIM24 O15164 1/20 0.55
TP53 P04637 2/20 0.55
ALPL P05186 1/20 0.53
USP2 O75604 1/20 0.52

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
SCHEMBL6074296 0.88 MAPT (0.61) SMN1; SMN2KMT2AMEN1LMNAL3MBTL1
SCHEMBL6074493 0.82 KMT2A (0.75) SMN1; SMN2KMT2AMEN1LMNAALDH1A1
SCHEMBL6073585 0.81 ALDH1A1 (0.62) SMN1; SMN2KMT2AMEN1LMNAALDH1A1
SCHEMBL18530465 0.81 SMN1; SMN2 (0.79) SMN1; SMN2KMT2AMEN1LMNAALOX12
SCHEMBL6802799 0.79 LMNA (0.61) SMN1; SMN2KMT2AMEN1LMNAALDH1A1
SCHEMBL7529463 0.76 TP53 (0.80) SMN1; SMN2KMT2AMEN1LMNAALOX12
SCHEMBL5962533 0.76 SMN1; SMN2 (0.71) SMN1; SMN2KMT2AMEN1LMNAALOX12
SCHEMBL7535714 0.76 SMN1; SMN2 (0.72) SMN1; SMN2KMT2AMEN1LMNAALOX12
SCHEMBL95715 0.76 SMN1; SMN2 (0.71) SMN1; SMN2KMT2AMEN1LMNAALOX12
SCHEMBL7528115 0.76 SMN1; SMN2 (0.72) SMN1; SMN2KMT2AMEN1LMNAALOX12

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 SMN1; SMN2 3999/4885KMT2A 3638/4885MEN1 2224/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 SMN1; SMN2 3999/4885KMT2A 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.