SCHEMBL6802180

SCHEMBL6802180

CCOC(=O)CN(Cc1cc(F)ccc1F)S(=O)(=O)c1ccc(N2CCC(=O)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
NPSR1 Q6W5P4 3/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 1/20 0.42
RORC P51449 3/20 0.41
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
MAPT P10636 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL6796787 0.88 MEN1 (0.41) ALDH1A1NPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL6800428 0.87 MEN1 (0.43) ALDH1A1NPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL6800554 0.81 RORC (0.49) ALDH1A1NPSR1RORC
SCHEMBL6799938 0.81 GAA (0.44) ALDH1A1NPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL6800894 0.79 HTR2A (0.46) SMN1; SMN2TDP1
SCHEMBL6800301 0.78 KMT2A (0.51) ALDH1A1NPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL16518030 0.76 ALDH1A1 (0.51) ALDH1A1NPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL22252106 0.75 KEAP1 (0.54) ALDH1A1KMT2ASMN1; SMN2TDP1
SCHEMBL27920633 0.72 ALDH1A1 (0.52) ALDH1A1NPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL16518111 0.72 ALDH1A1 (0.46) ALDH1A1NPSR1MEN1KMT2ASMN1; SMN2

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 ALDH1A1 2253/4885NPSR1 154/4885MEN1 2627/4885
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 ALDH1A1 1800/4885NPSR1 135/4885MEN1 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.