SCHEMBL7688482

SCHEMBL7688482

CC(C)(C)OC(=O)N[C@H](CO)Cc1ccc(Oc2ncccn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.49
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
ITGB1 P05556 2/20 0.43
ITGA4 P13612 2/20 0.43
PCNA P12004 1/20 0.43
HDAC8 Q9BY41 1/20 0.42
PTPN1 P18031 2/20 0.42
APP P05067 1/20 0.41
CYP3A4 P08684 5/20 0.41
BCL2 P10415 1/20 0.41

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
SCHEMBL6488494 1.00 ATM (0.49) ATMITGB3ITGA2BITGB1ITGA4
SCHEMBL2291516 0.86 ATM (0.59) ATMITGB3ITGA2BPCNAHDAC8
SCHEMBL6479907 0.85 KMT2A (0.50) ATMITGB3ITGA2BHDAC8PTPN1
SCHEMBL6479900 0.85 KMT2A (0.50) ATMITGB3ITGA2BHDAC8PTPN1
SCHEMBL6478359 0.84 PDE10A (0.49) ATM
SCHEMBL6478354 0.84 PDE10A (0.49) ATM
SCHEMBL6478967 0.84 RAB9A (0.49)
SCHEMBL6478973 0.84 RAB9A (0.49)
SCHEMBL6479205 0.84 TDP1 (0.53) ATM
SCHEMBL6479483 0.84 ATM (0.45) ATMITGB3ITGA2BPCNAHDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020143034-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-10-03 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 (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-20020143034-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB2, ADRB3 ATM 3918/4885ITGB3 262/4885ITGA2B 1066/4885

“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.