SCHEMBL4670404

SCHEMBL4670404

NC(=O)C1CCc2cc(S(=O)(=O)Nc3ccc(-n4ccn(CCCC5CCCC5)c4=O)cc3)ccc2O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 9/20 0.49
ADRB1 P08588 9/20 0.49
ADRB3 P13945 8/20 0.49
BRD1 O95696 4/20 0.38
BRPF1 P55201 4/20 0.38
TRIM24 O15164 3/20 0.38
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
PKM P14618 3/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 2/20 0.35

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
SCHEMBL4673715 0.99 ADRB2 (0.48) ADRB2ADRB1ADRB3BRD1BRPF1
SCHEMBL4672288 0.99 ADRB2 (0.48) ADRB2ADRB1ADRB3BRD1BRPF1
SCHEMBL14143274 0.88 ADRB2 (0.47) ADRB2ADRB1ADRB3BRD1BRPF1
SCHEMBL14143417 0.88 ADRB2 (0.47) ADRB2ADRB1ADRB3BRD1BRPF1
SCHEMBL4670517 0.85 ADRB2 (0.49) ADRB2ADRB1ADRB3BRD1BRPF1
SCHEMBL4672064 0.79 ADRB2 (0.49) ADRB2ADRB1ADRB3BRD1BRPF1
SCHEMBL14143419 0.78 ADRB2 (0.70) ADRB2ADRB1ADRB3
SCHEMBL4673203 0.74 ADRB2 (0.47) ADRB2ADRB1ADRB3BRD1BRPF1
SCHEMBL4675636 0.73 PKM (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14143369 0.73 ADRB2 (0.48) ADRB2ADRB1ADRB3BRD1BRPF1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054881-B1 NOVEL SULFONAMIDE SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER CORP (US) 2008-07-30 EP disclosed
US-6903218-B2 Sulfonamide substituted chroman derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2005-06-07 US disclosed
US-20040072843-A1 Novel sulfonamide substituted chroman derivatives useful as beta 3 adrenoreceptor agonists LADOUCEUR GAETAN H (US) 2004-04-15 US disclosed
US-20030073839-A1 Compounds useful for preparation of Beta-3 adrenoreceptor agonist BAYER PHARMACEUTICALS CORPORATION 2003-04-17 US disclosed
US-6051586-A HYPOGLYCEMIC AGENTS; ANTIDIABETIC AGENTS BAYER CORPORATION (US) 2000-04-18 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-20040072843-A1 Novel sulfonamide substituted chroman derivatives useful as beta 3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 ADRB2 2/4885ADRB1 3/4885ADRB3 1/4885
US-20030073839-A1 Compounds useful for preparation of Beta-3 adrenoreceptor agonist ADRB3, ADRB2, ADRB1 ADRB2 2/4885ADRB1 3/4885ADRB3 1/4885

“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.