SCHEMBL4936019

SCHEMBL4936019

CC(C)(C)OC(=O)N[C@@H](CCc1nc2ccccc2[nH]1)C(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.61
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
PPARA Q07869 2/20 0.48
CTSS P25774 2/20 0.47
CTSK P43235 2/20 0.47
MAPT P10636 2/20 0.47
PIN1 Q13526 2/20 0.46
TACR1 P25103 1/20 0.46
BCHE P06276 1/20 0.45
GAA P10253 1/20 0.44
GRIN2B Q13224 1/20 0.44
PPARG P37231 1/20 0.44
CHRM1 P11229 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL5732087 1.00 PTPN1 (0.61) PTPN1CYP1A2CYP2C9PPARACTSS
SCHEMBL4936024 1.00 PTPN1 (0.61) PTPN1CYP1A2CYP2C9PPARACTSS
SCHEMBL4934953 0.90 PTPN1 (0.65) PTPN1CYP1A2CYP2C9PPARACTSS
SCHEMBL4934964 0.90 PTPN1 (0.65) PTPN1CYP1A2CYP2C9PPARACTSS
SCHEMBL4935716 0.89 PTPN1 (0.49) PTPN1PPARACTSSCTSKMAPT
SCHEMBL4935704 0.89 PTPN1 (0.49) PTPN1PPARACTSSCTSKMAPT
SCHEMBL4932996 0.88 PTPN1 (0.48) PTPN1PPARACTSSCTSKMAPT
SCHEMBL4932981 0.88 PTPN1 (0.48) PTPN1PPARACTSSCTSKMAPT
SCHEMBL19532698 0.85 PTPN1 (0.58) PTPN1CYP1A2CYP2C9CTSSCTSK
SCHEMBL3881683 0.82 CTSS (0.65) PPARACTSSCTSKMAPTPPARG

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 PTPN1 3437/4885CYP1A2 2427/4885CYP2C9 2975/4885

“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.