SCHEMBL6800907

SCHEMBL6800907

O=S(=O)(c1ccc(N2CCC3(CC2)OCCO3)cc1)N1CCCC1

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.81
POLB P06746 4/20 0.63
MAPT P10636 1/20 0.58
PKM P14618 1/20 0.55
ALDH1A1 P00352 3/20 0.53
USP2 O75604 1/20 0.53
LMNA P02545 1/20 0.52
MAPK1 P28482 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL6801612 0.99 KDM4E (0.78) KDM4EPOLBMAPTPKMALDH1A1
SCHEMBL7563150 0.83 POLB (0.56) KDM4EPOLBMAPTPKMALDH1A1
SCHEMBL12793323 0.82 KDM4E (0.79) KDM4EPOLBPKMALDH1A1LMNA
SCHEMBL19392491 0.82 POLB (0.80) KDM4EPOLBMAPTPKMALDH1A1
SCHEMBL10394428 0.81 AKR1C3 (0.54) KDM4EPOLBPKMALDH1A1
SCHEMBL6801306 0.81 KDM4E (0.55) KDM4EPOLBPKMALDH1A1LMNA
SCHEMBL6797339 0.80 KDM4E (0.51) KDM4EPOLBMAPTPKMALDH1A1
SCHEMBL10445165 0.80 USP2 (0.77) POLBMAPTALDH1A1USP2LMNA
SCHEMBL6800744 0.79 KDM4E (0.50) KDM4EPOLBMAPTPKMALDH1A1
SCHEMBL10473148 0.78 KMT2A (0.50) KDM4EPOLBPKMALDH1A1USP2

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 KDM4E 2294/4885POLB 3400/4885MAPT 4140/4885
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 KDM4E 2130/4885POLB 3228/4885MAPT 4309/4885

“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.