SCHEMBL4935772

SCHEMBL4935772

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.40
CYP3A4 P08684 5/20 0.35
CYP1A2 P05177 2/20 0.35
NFKB1 P19838 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTPN1 P18031 1/20 0.35
DPP4 P27487 2/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
PTGS1 P23219 2/20 0.34
ALPI P09923 1/20 0.34
PKM P14618 1/20 0.34
XIAP P98170 1/20 0.34
LMNA P02545 2/20 0.34
PMP22 Q01453 2/20 0.34
GRB2 P62993 1/20 0.34
NLRP3 Q96P20 1/20 0.34

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
SCHEMBL14763045 0.88 SLC7A5 (0.49) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL3203564 0.80 SLC7A5 (0.45) SLC7A5CYP3A4CYP1A2NFKB1CYP2D6
SCHEMBL6666822 0.80 SLC7A5 (0.45) SLC7A5CYP3A4CYP1A2NFKB1CYP2D6
SCHEMBL7164479 0.75 SLC7A5 (0.41) SLC7A5CYP3A4CYP1A2NFKB1CYP2D6
SCHEMBL7286634 0.74 SLC7A5 (0.49) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL3777213 0.74 LDHA (0.46) SLC7A5CYP1A2CYP2D6CYP2C19PTPN1
Hydrochloric Acid SCHEMBL6164900 0.73 SLC7A5 (0.43) SLC7A5CYP3A4CYP1A2NFKB1DPP4
Hydrochloric Acid SCHEMBL6164908 0.73 SLC7A5 (0.43) SLC7A5CYP3A4CYP1A2NFKB1DPP4
SCHEMBL14008630 0.73 AAK1 (0.42) SLC7A5
SCHEMBL30912497 0.73 ADORA1 (0.44) CYP3A4CYP1A2NFKB1CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132539-A1 Hydroxamic Acid Derivative And Age Generation Inhibitor Containing The Derivative KUREHA CORPORATION (JP) 2008-06-05 US disclosed
EP-1707560-A1 HYDROXAMIC ACID DERIVATIVE AND AGE GENERATION INHIBITOR CONTAINING THE DERIVATIVE Kureha Corporation (JP) 2006-10-04 EP 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-20080132539-A1 Hydroxamic Acid Derivative And Age Generation Inhibitor Containing The Derivative HDAC5, HDAC1, HDAC9 SLC7A5 1306/4885CYP3A4 3421/4885CYP1A2 2427/4885

“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.