SCHEMBL6801446

SCHEMBL6801446

O=S(=O)(NN1CCCCC1)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
POLB P06746 3/20 0.53
PKM P14618 2/20 0.52
MCOLN3 Q8TDD5 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PHGDH O43175 1/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP13 P45452 1/20 0.48
GAA P10253 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 4/20 0.47
GLA P06280 2/20 0.47
FKBP1A P62942 1/20 0.47
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 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
SCHEMBL6797104 0.98 POLB (0.54) MAPTPOLBPKMMCOLN3L3MBTL1
SCHEMBL7131545 0.82 PHGDH (0.49) MAPTPHGDHCA1CA2MMP1
SCHEMBL9189792 0.82 PHGDH (0.49) MAPTPHGDHGAAKMT2AGLA
SCHEMBL3799154 0.81 LMNA (0.53) MAPTL3MBTL1PHGDHCA1CA2
SCHEMBL7115197 0.81 LMNA (0.53) MAPTL3MBTL1PHGDHCA1CA2
Hydrochloric Acid SCHEMBL11538425 0.80 ATM (0.53) MAPTPOLBL3MBTL1PHGDHCA1
SCHEMBL2084284 0.79 ATM (0.51) POLBL3MBTL1PHGDHCA1CA2
SCHEMBL195526 0.78 MEN1 (0.48) MAPTPOLBPKMCA1CA2
SCHEMBL5565386 0.77 ALDH1A1 (0.58) MAPTPOLBL3MBTL1GAASMN1; SMN2
SCHEMBL9185391 0.77 PKM (0.74) POLBPKMKMT2AALDH1A1KDM4E

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 MAPT 4140/4885POLB 3400/4885PKM 1871/4885
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 MAPT 4309/4885POLB 3228/4885PKM 1385/4885

“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.