SCHEMBL6980419

SCHEMBL6980419

CCCCOc1ccc(S(=O)(=O)N2CCC(NCc3ccccc3)C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
ADRB3 P13945 4/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
RECQL P46063 1/20 0.53
ADRB2 P07550 1/20 0.51
ADRB1 P08588 1/20 0.51
FABP6 P51161 1/20 0.49
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48
EBP Q15125 1/20 0.48
DHCR7 Q9UBM7 1/20 0.48
CCR6 P51684 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP2C9 P11712 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL6983340 0.91 ADRB3 (0.59) KMT2AMEN1ADRB3L3MBTL1TSHR
SCHEMBL6988523 0.78 ADRB3 (0.67) KMT2AMEN1ADRB3L3MBTL1TSHR
SCHEMBL25758323 0.78 L3MBTL1 (0.60) KMT2AMEN1L3MBTL1TSHRMAPK1
SCHEMBL6986391 0.76 TSHR (0.64) KMT2AMEN1ADRB3L3MBTL1TSHR
SCHEMBL6985012 0.75 ALDH1A1 (0.43) KMT2AMEN1ADRB3ADRB2ADRB1
SCHEMBL20492814 0.74 FABP6 (0.62) KMT2AMEN1FABP6EBPDHCR7
SCHEMBL6986395 0.73 TSHR (0.60) KMT2AMEN1ADRB3L3MBTL1TSHR
SCHEMBL27487981 0.73 ALDH1A1 (0.67) KMT2AMEN1L3MBTL1TSHRMAPK1
SCHEMBL7130017 0.73 ADRB3 (0.65) ADRB3TSHRMAPK1RECQLADRB2
SCHEMBL4283386 0.72 L3MBTL1 (0.61) KMT2AMEN1L3MBTL1TSHRMAPK1

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 KMT2A 2355/4885MEN1 3553/4885ADRB3 1/4885
US-20030027797-A1 Cyclylamine sulfonamides as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 KMT2A 2051/4885MEN1 3696/4885ADRB3 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.