SCHEMBL3498720

SCHEMBL3498720

COC(=O)C(Cc1ccc(OCc2ccc(C#N)cc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.62
BCL2 P10415 2/20 0.54
CTSS P25774 6/20 0.53
CTSK P43235 5/20 0.53
YAP1 P46937 2/20 0.51
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
P2RX7 Q99572 1/20 0.49
PPARG P37231 1/20 0.49
MAOB P27338 1/20 0.48
NLRP3 Q96P20 1/20 0.48
KLK5 Q9Y337 1/20 0.48
RAB9A P51151 1/20 0.47
HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL3498722 1.00 PTPN1 (0.62) PTPN1BCL2CTSSCTSKYAP1
SCHEMBL16935712 0.92 CTSS (0.58) PTPN1CTSSCTSKITGB3ITGA2B
SCHEMBL18920552 0.92 CTSS (0.58) PTPN1CTSSCTSKITGB3ITGA2B
SCHEMBL2617261 0.92 CTSS (0.58) PTPN1CTSSCTSKITGB3ITGA2B
SCHEMBL539374 0.89 CTSS (0.62) PTPN1BCL2CTSSCTSKITGB3
SCHEMBL539373 0.89 CTSS (0.62) PTPN1BCL2CTSSCTSKITGB3
SCHEMBL10634012 0.88 PTPN1 (0.50) PTPN1BCL2CTSSCTSKYAP1
SCHEMBL6161729 0.88 BCL2 (0.64) PTPN1BCL2CTSSCTSKYAP1
SCHEMBL3350988 0.88 BCL2 (0.64) PTPN1BCL2CTSSCTSKYAP1
SCHEMBL3500186 0.88 BCL2 (0.64) PTPN1BCL2CTSSCTSKYAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
US-20080132539-A1 Hydroxamic Acid Derivative And Age Generation Inhibitor Containing The Derivative KUREHA CORPORATION (JP) 2008-06-05 US disclosed
EP-1849465-A1 AGENT FOR CONTROLLING FUNCTION OF GPR34 RECEPTOR Takeda Pharmaceutical Company Limited (JP) 2007-10-31 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 (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-20100130737-A1 Regulating Agent of GPR34 Receptor Function GPR34, GPR4, GPR6 PTPN1 3494/4885BCL2 2066/4885CTSS 3589/4885
US-20080132539-A1 Hydroxamic Acid Derivative And Age Generation Inhibitor Containing The Derivative HDAC5, HDAC1, HDAC9 PTPN1 3437/4885BCL2 3483/4885CTSS 1395/4885

“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.