SCHEMBL21144822

SCHEMBL21144822

CC(O)C(Cc1ccc(C#N)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.49
CTSK P43235 9/20 0.49
CTSB P07858 2/20 0.48
CTSL P07711 1/20 0.48
KLK5 Q9Y337 2/20 0.47
PTPN1 P18031 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
APP P05067 1/20 0.42
ATM Q13315 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41

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
SCHEMBL18930599 1.00 CTSS (0.49) CTSSCTSKCTSBCTSLKLK5
SCHEMBL18930230 0.88 PSEN1 (0.51) CTSSCTSKCTSBCTSLKLK5
SCHEMBL21170204 0.88 PSEN1 (0.51) CTSSCTSKCTSBCTSLKLK5
SCHEMBL5945647 0.87 KLK5 (0.48) CTSSCTSKCTSBCTSLKLK5
SCHEMBL8820537 0.86 ACACB (0.52) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL5945619 0.85 KLK5 (0.46) CTSSCTSKCTSBCTSLKLK5
SCHEMBL7471507 0.83 KLK5 (0.49) CTSSCTSKKLK5CA1CA2
SCHEMBL7471521 0.83 KLK5 (0.49) CTSSCTSKKLK5CA1CA2
SCHEMBL7471500 0.83 KLK5 (0.49) CTSSCTSKKLK5CA1CA2
SCHEMBL5752684 0.83 CTSS (0.55) CTSSCTSKCTSBCTSLKLK5

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-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
US-20190218196-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-07-18 US 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.