SCHEMBL6800331

SCHEMBL6800331

O=S(=O)(NCc1cc(F)ccc1F)c1ccc(N2CCC3(CC2)OCCO3)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
NAMPT P43490 1/20 0.45
SMN1; SMN2 Q16637 6/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 4/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 2/20 0.43
HBB P68871 1/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL6801401 0.81 USP2 (0.47) NAMPTSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL6799664 0.76 CYP19A1 (0.59) NAMPTSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL6800436 0.75 ALDH1A1 (0.55) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL6806953 0.74 ALDH1A1 (0.62) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL6799370 0.74 SMN1; SMN2 (0.67) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL6795927 0.73 ALDH1A1 (0.75) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL17893806 0.73 PKM (0.49) SMN1; SMN2KMT2ALMNAMEN1ALDH1A1
SCHEMBL3795448 0.72 LGMN (0.54) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL6800812 0.70 MAPT (0.49) SMN1; SMN2KMT2ALMNAMEN1ALDH1A1
SCHEMBL10473148 0.69 KMT2A (0.50) KMT2AALDH1A1POLBKDM4EL3MBTL1

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 4 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

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 NPC1 999/4885RAB9A 1847/4885NAMPT 2209/4885
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 NPC1 1161/4885RAB9A 1938/4885NAMPT 2165/4885

“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.