SCHEMBL6983313

SCHEMBL6983313

CCCCN(CC(=O)OC)c1ccc(S(=O)(=O)N2CC(N(Cc3ccccc3)CC(O)COc3ccc(OCc4ccccc4)cc3)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
PTPN1 P18031 6/20 0.41
ADAMTS4 O75173 1/20 0.38
MMP2 P08253 1/20 0.38
MMP13 P45452 1/20 0.38
MMP14 P50281 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
ADRB1 P08588 5/20 0.38
ADRB3 P13945 5/20 0.38
CTRC Q99895 1/20 0.38
ADRB2 P07550 2/20 0.38
PTPN2 P17706 2/20 0.37
PTPN6 P29350 2/20 0.37
ADAM17 P78536 3/20 0.36
MMP1 P03956 2/20 0.36
MMP3 P08254 2/20 0.36
MMP9 P14780 2/20 0.36
CHRM5 P08912 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL6982753 0.83 ADRB3 (0.42) ADAMTS4MMP2MMP13MMP14ADAMTS5
SCHEMBL6989501 0.79 ADRB3 (0.58) ADRB1ADRB3ADRB2
SCHEMBL6074664 0.74 AR (0.47) PTPN1ADRB1ADRB3ADRB2PTPN2
SCHEMBL6074962 0.72 ADRB2 (0.49) ADRB1ADRB3ADRB2POLBTSHR
SCHEMBL6986206 0.71 ADRB3 (0.67) ADRB1ADRB3ADRB2
SCHEMBL6074807 0.71 POLB (0.45) ALDH1A1ADRB3POLBTSHR
SCHEMBL6075083 0.69 GHSR (0.50)
SCHEMBL6988523 0.69 ADRB3 (0.67) ALDH1A1ADRB1ADRB3ADRB2POLB
SCHEMBL7130017 0.68 ADRB3 (0.65) ADRB1ADRB3ADRB2POLBTSHR
SCHEMBL6985948 0.67 ADRB3 (0.69) ADRB1ADRB3ADRB2

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-6649603-B2 For therapy of metabolic disorders related to insulin resistance or hyperglycemia WYETH 2003-11-18 US disclosed
EP-1328512-A2 CYCLYLAMINE SULFONAMIDES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS Wyeth (US) 2003-07-23 EP disclosed
US-20030027797-A1 Cyclylamine sulfonamides as beta-3 adrenergic receptor agonists WYETH (US) 2003-02-06 US disclosed
US-6498170-B2 4-((2S)-3-(1-(4-BUTOXY-BENZENESULFONYL)-AZETIDIN-3-YLAMINO)-2 -HYDROXY- PROPOXY)-PHENOL FOR EXAMPLE; HYPOGLYCEMIC AGENT; INCREASING LEAN MEAT TO FAT RATIO IN MAMMALS WYETH 2002-12-24 US disclosed
US-20020022605-A1 Cyclamine sulfonamides as beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-02-21 US disclosed
WO-2002006221-A2 CYCLYLAMINE SULFONAMIDES AS 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-20020022605-A1 Cyclamine sulfonamides as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 ALDH1A1 3013/4885PTPN1 2623/4885ADAMTS4 4663/4885
US-20030027797-A1 Cyclylamine sulfonamides as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 ALDH1A1 2651/4885PTPN1 2660/4885ADAMTS4 4785/4885

“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.