SCHEMBL18920552

SCHEMBL18920552

COC(=O)[C@@H](Cc1ccc(C#N)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.58
CTSK P43235 11/20 0.58
CTSB P07858 4/20 0.57
CTSL P07711 2/20 0.57
KLK5 Q9Y337 1/20 0.54
NLRP3 Q96P20 1/20 0.53
PTPN1 P18031 1/20 0.51
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
CTSG P08311 1/20 0.48
CMA1 P23946 1/20 0.48
ACE P12821 1/20 0.46

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
SCHEMBL16935712 1.00 CTSS (0.58) CTSSCTSKCTSBCTSLKLK5
SCHEMBL2617261 1.00 CTSS (0.58) CTSSCTSKCTSBCTSLKLK5
SCHEMBL539373 0.96 CTSS (0.62) CTSSCTSKCTSBCTSLKLK5
SCHEMBL539374 0.96 CTSS (0.62) CTSSCTSKCTSBCTSLKLK5
SCHEMBL31524193 0.94 CTSS (0.59) CTSSCTSKCTSBCTSLNLRP3
SCHEMBL3498722 0.92 PTPN1 (0.62) CTSSCTSKCTSBCTSLKLK5
SCHEMBL3498720 0.92 PTPN1 (0.62) CTSSCTSKCTSBCTSLKLK5
SCHEMBL23419674 0.90 CTSS (0.56) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL5151368 0.90 CTSS (0.56) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL21663693 0.89 CTSS (0.57) CTSSCTSKCTSBCTSLPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-05-19 US disclosed
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-05-19 US disclosed
EP-3383865-B1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 Bayer Pharma AG (DE) 2020-01-29 EP disclosed
EP-3383865-B1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 Bayer Pharma AG (DE) 2020-01-29 EP disclosed
US-20190218196-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-07-18 US disclosed
US-20190218196-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-07-18 US disclosed
EP-3383865-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 Bayer Pharma Aktiengesellschaft (DE) 2018-10-10 EP disclosed
WO-2017093272-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-08 WO disclosed
WO-2017093272-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-08 WO 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-20190218196-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 ATAD2, ATAD2B, TAF1L CTSS 3972/4885CTSK 3752/4885CTSB 3425/4885
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 ATAD2, ATAD2B, TAF1L CTSS 3972/4885CTSK 3752/4885CTSB 3425/4885

“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.