SCHEMBL6800958

SCHEMBL6800958

O=C(O)CNS(=O)(=O)c1ccc(N2CCC(O)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 1/20 0.53
HBB P68871 1/20 0.53
CASR P41180 1/20 0.52
MMP1 P03956 2/20 0.51
MMP12 P39900 1/20 0.51
MMP2 P08253 1/20 0.49
MMP3 P08254 1/20 0.49
MMP7 P09237 1/20 0.49
MMP9 P14780 1/20 0.49
MMP13 P45452 1/20 0.49
NPC1 O15118 1/20 0.47
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
APEX1 P27695 1/20 0.46
RORC P51449 1/20 0.46

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
SCHEMBL4426623 0.85 MMP3 (0.54) GAASMN1; SMN2MEN1KMT2ALMNA
SCHEMBL6419794 0.85 GAA (0.63) GAASMN1; SMN2MEN1KMT2ALMNA
SCHEMBL6801175 0.83 ALDH1A1 (0.61) GAASMN1; SMN2MEN1KMT2ALMNA
SCHEMBL6797196 0.82 GAA (0.54) GAASMN1; SMN2MEN1KMT2ALMNA
SCHEMBL6801289 0.82 MEN1 (0.51) GAASMN1; SMN2MEN1KMT2ALMNA
Trifluoroacetic Acid SCHEMBL7520815 0.76 SMN1; SMN2 (0.51) GAASMN1; SMN2MEN1KMT2ALMNA
SCHEMBL6878147 0.76 RORC (0.49) GAASMN1; SMN2MEN1KMT2ALMNA
SCHEMBL4434657 0.74 MMP2 (0.56) GAASMN1; SMN2MEN1KMT2ALMNA
SCHEMBL8193760 0.73 KDM4E (0.60) LMNAKDM4ERORC
SCHEMBL4500240 0.73 GPR119 (0.58) RORC

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
US-6743787-B2 FOR THERAPY OF METABOLIC DISORDERS MEDIATED BY INSULIN RESISTANCE OR HYPERGLYCEMIA IN A MAMMAL WYETH 2004-06-01 US disclosed
US-20030027795-A1 N-(4-sulfonylaryl)cyclylamine-2-hydroxyethylamines as beta-3 adrenergic receptor agonists WYETH 2003-02-06 US disclosed
US-6444685-B1 THERAPY FOR METABOLISM DISEASES; DIETETICS; ANTIDIABETIC AGENTS WYETH 2002-09-03 US disclosed
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION 2002-03-07 US disclosed
WO-2002006274-A1 N-(4-SULFONYLARYL)CYCLYLAMINE-2-HYDROXYETHYLAMINES 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-20030027795-A1 N-(4-sulfonylaryl)cyclylamine-2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 GAA 2446/4885SMN1; SMN2 2820/4885MEN1 2627/4885
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 GAA 2167/4885SMN1; SMN2 2852/4885MEN1 2724/4885

“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.