SCHEMBL6479907

SCHEMBL6479907

CC(C)(C)OC(=O)NC(CO)Cc1ccc(Oc2ncccc2CO)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
ATM Q13315 1/20 0.44
PDE10A Q9Y233 4/20 0.44
CYP3A4 P08684 5/20 0.42
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
PTPN1 P18031 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL6479900 1.00 KMT2A (0.50) KMT2AMEN1ATMPDE10ACYP3A4
SCHEMBL6478359 0.87 PDE10A (0.49) ATMPDE10A
SCHEMBL6478354 0.87 PDE10A (0.49) ATMPDE10A
SCHEMBL6478967 0.86 RAB9A (0.49) PDE10A
SCHEMBL6479205 0.86 TDP1 (0.53) ATMPDE10A
SCHEMBL6479203 0.86 TDP1 (0.53) ATMPDE10A
SCHEMBL6479393 0.86 ATM (0.45) ATMPDE10ACYP3A4ITGB3ITGA2B
SCHEMBL6478973 0.86 RAB9A (0.49) PDE10A
SCHEMBL6479483 0.86 ATM (0.45) ATMPDE10ACYP3A4ITGB3ITGA2B
SCHEMBL6480495 0.85 PTPN1 (0.50) ATMPDE10ACYP3A4PTPN1

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-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-02-24 US disclosed
US-20020143034-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-10-03 US disclosed
EP-1140849-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
WO-2000040560-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 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-20020143034-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB2, ADRB3 KMT2A 2316/4885MEN1 4437/4885ATM 3918/4885
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB2, ADRB1, ADRB3 KMT2A 1858/4885MEN1 3735/4885ATM 3785/4885

“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.