SCHEMBL4670104

SCHEMBL4670104

Cc1ccc(C)n1-c1ccc([C@@H](O)C(N)=O)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MET P08581 1/20 0.34
MST1R Q04912 1/20 0.34
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PANK3 Q9H999 2/20 0.32
MYC P01106 2/20 0.32
EGLN1 Q9GZT9 1/20 0.32
UBE2T Q9NPD8 1/20 0.31

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
SCHEMBL4614360 0.78 KDM4E (0.45) KDM4EALDH1A1L3MBTL1MEN1MAPT
SCHEMBL5727824 0.78 KDM4E (0.45) KDM4EALDH1A1L3MBTL1MEN1MAPT
Hydrochloric Acid SCHEMBL4677792 0.77 KDM4E (0.44) KDM4EALDH1A1L3MBTL1MEN1MAPT
Hydrochloric Acid SCHEMBL8126191 0.77 KDM4E (0.44) KDM4EALDH1A1L3MBTL1MEN1MAPT
SCHEMBL2086312 0.75 KDM4E (0.45) KDM4EALDH1A1L3MBTL1MEN1MAPT
SCHEMBL22533708 0.74 KDM4E (0.44) KDM4EALDH1A1L3MBTL1MEN1MAPT
SCHEMBL4670521 0.74 KDM4E (0.44) KDM4EALDH1A1L3MBTL1MEN1MAPT
SCHEMBL4670075 0.74 KDM4E (0.44) KDM4EALDH1A1L3MBTL1MEN1MAPT
SCHEMBL4670053 0.74 AOC3 (0.44) KDM4EALDH1A1L3MBTL1MEN1MAPT
SCHEMBL27659401 0.74 ALDH1A1 (0.41) KDM4EALDH1A1L3MBTL1MEN1MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054881-B1 NOVEL SULFONAMIDE SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER CORP (US) 2008-07-30 EP disclosed
US-6903218-B2 Sulfonamide substituted chroman derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2005-06-07 US disclosed
US-20040072843-A1 Novel sulfonamide substituted chroman derivatives useful as beta 3 adrenoreceptor agonists LADOUCEUR GAETAN H (US) 2004-04-15 US disclosed
EP-1054881-A1 NOVEL SULFONAMIDE SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS Bayer Corporation (US) 2000-11-29 EP disclosed
US-6051586-A HYPOGLYCEMIC AGENTS; ANTIDIABETIC AGENTS BAYER CORPORATION (US) 2000-04-18 US disclosed
WO-1999032475-A1 NOVEL SULFONAMIDE SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER CORPORATION (US) 1999-07-01 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 (1 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-20040072843-A1 Novel sulfonamide substituted chroman derivatives useful as beta 3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 KDM4E 4058/4885ALDH1A1 1908/4885L3MBTL1 4385/4885

“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.