SCHEMBL4934696

SCHEMBL4934696

COC(=O)[C@H](Cc1ccc(OCc2ccc(F)cc2F)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.58
MME P08473 1/20 0.55
ACE P12821 1/20 0.55
CPA1 P15085 1/20 0.55
ACE2 Q9BYF1 1/20 0.55
CTSS P25774 2/20 0.49
CTSK P43235 2/20 0.49
MAOB P27338 1/20 0.49
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
KLK5 Q9Y337 1/20 0.47
YAP1 P46937 1/20 0.47
BCL2 P10415 1/20 0.47
GSK3B P49841 1/20 0.46
BACE1 P56817 1/20 0.46
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC8 Q9BY41 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
SCHEMBL4934701 1.00 PTPN1 (0.58) PTPN1MMEACECPA1ACE2
SCHEMBL3500428 0.88 PTPN1 (0.70) PTPN1CTSSCTSKMAOBITGB3
SCHEMBL3497352 0.88 PTPN1 (0.70) PTPN1CTSSCTSKMAOBITGB3
SCHEMBL3499367 0.88 CTSS (0.57) PTPN1MMEACECPA1ACE2
SCHEMBL3499368 0.88 CTSS (0.57) PTPN1MMEACECPA1ACE2
SCHEMBL31494602 0.85 CTSS (0.51) PTPN1ACECTSSCTSKKLK5
SCHEMBL3498682 0.85 CTSS (0.56) PTPN1CTSSCTSKMAOBKLK5
SCHEMBL3498679 0.85 CTSS (0.56) PTPN1CTSSCTSKMAOBKLK5
SCHEMBL25382593 0.83 CTSS (0.67) ACECTSSCTSKITGB3ITGA2B
SCHEMBL479104 0.83 CTSS (0.67) ACECTSSCTSKITGB3ITGA2B

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 3437/4885MME 941/4885ACE 53/4885

“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.