SCHEMBL18930239

SCHEMBL18930239

CC(C)(C)OC(=O)N[C@H](Cc1ccc(C#N)cc1)C(N)=S

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.56
CTSK P43235 11/20 0.56
CTSB P07858 4/20 0.55
CTSL P07711 2/20 0.55
PTPN1 P18031 1/20 0.49
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
ACE P12821 1/20 0.45
HDAC8 Q9BY41 1/20 0.44
P2RX7 Q99572 1/20 0.43

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
SCHEMBL15084091 0.90 CTSS (0.58) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL16935721 0.90 CTSS (0.58) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL18930696 0.90 CTSS (0.58) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL9886038 0.87 CTSS (0.62) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL3450109 0.86 PTPN1 (0.62) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL1350138 0.86 PTPN1 (0.62) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL31524193 0.86 CTSS (0.59) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL1350140 0.86 PTPN1 (0.62) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL25418554 0.86 CTSS (0.58) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL16935712 0.85 CTSS (0.58) 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 4 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
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.