SCHEMBL18930596

SCHEMBL18930596

CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCOCC1)Cc1ccc(C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.47
CTSL P07711 3/20 0.47
CTSB P07858 3/20 0.47
CTSD P07339 2/20 0.47
ATM Q13315 1/20 0.41
ACACB O00763 2/20 0.41
CTSK P43235 6/20 0.41
DPP4 P27487 1/20 0.41
P2RX7 Q99572 1/20 0.40
CTSC P53634 1/20 0.39
KCNH2 Q12809 1/20 0.39
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
FKBP1A P62942 1/20 0.39

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
SCHEMBL18930496 0.91 FPR1 (0.43) CTSSCTSLCTSBATMCTSK
SCHEMBL21169985 0.89 P2RX7 (0.42) CTSSCTSLCTSBATMACACB
SCHEMBL18930237 0.86 KDM4E (0.43) CTSSCTSLCTSBCTSDATM
SCHEMBL21144694 0.84 DPP4 (0.46) CTSSACACBDPP4CTSCKCNH2
SCHEMBL21144696 0.84 DPP4 (0.46) CTSSACACBDPP4CTSCKCNH2
SCHEMBL18930525 0.84 ACACB (0.45) CTSSCTSLCTSBCTSDATM
SCHEMBL21144936 0.81 ATM (0.52) CTSSCTSLCTSBATMCTSK
SCHEMBL18920601 0.81 ATM (0.52) CTSSCTSLCTSBATMCTSK
SCHEMBL29163533 0.81 ATM (0.52) CTSSCTSLCTSBATMCTSK
SCHEMBL18930231 0.80 APP (0.51) CTSSCTSLCTSBATMCTSK

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 3972/4885CTSL 4617/4885CTSB 3425/4885
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 ATAD2, ATAD2B, TAF1L CTSS 3972/4885CTSL 4617/4885CTSB 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.