SCHEMBL18930601

SCHEMBL18930601

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

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
CTSS P25774 11/20 0.47
CTSK P43235 10/20 0.47
CTSB P07858 3/20 0.46
CTSL P07711 1/20 0.46
APP P05067 4/20 0.43
PTPN1 P18031 1/20 0.43
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
MAOB P27338 1/20 0.40
AAK1 Q2M2I8 1/20 0.40

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
SCHEMBL2617251 0.86 ATM (0.51) ATMCTSSCTSKCTSBCTSL
SCHEMBL18930490 0.86 ATM (0.51) ATMCTSSCTSKCTSBCTSL
SCHEMBL18930494 0.86 ATM (0.46) ATMCTSSCTSKCTSBCTSL
SCHEMBL21676541 0.86 ATM (0.48) ATMCTSSCTSKCTSBCTSL
SCHEMBL29163533 0.84 ATM (0.52) ATMCTSSCTSKCTSBCTSL
SCHEMBL21144936 0.84 ATM (0.52) ATMCTSSCTSKCTSBCTSL
SCHEMBL18930760 0.84 ATM (0.49) ATMCTSSCTSKCTSBCTSL
SCHEMBL18930766 0.84 ACACB (0.49) ATMCTSSCTSKCTSBCTSL
SCHEMBL18920601 0.84 ATM (0.52) ATMCTSSCTSKCTSBCTSL
SCHEMBL21501008 0.84 ATM (0.67) ATMCTSSCTSKCTSBCTSL

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 ATM 346/4885CTSS 3972/4885CTSK 3752/4885
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 ATAD2, ATAD2B, TAF1L ATM 346/4885CTSS 3972/4885CTSK 3752/4885

“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.