SCHEMBL18930237

SCHEMBL18930237

CC(C)(C)OC(=O)N[C@H](Cc1ccc(C#N)cc1)CN1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ATM Q13315 1/20 0.43
CTSS P25774 7/20 0.42
CTSK P43235 5/20 0.42
ACACB O00763 3/20 0.42
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
CD274 Q9NZQ7 2/20 0.41
CTSC P53634 1/20 0.40
KCNH2 Q12809 1/20 0.40
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
CYP2D6 P10635 1/20 0.40
P2RX7 Q99572 1/20 0.39
CTSD P07339 1/20 0.39
PTPN1 P18031 1/20 0.39
APP P05067 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL18930240 0.91 ATM (0.45) ATMCTSSCTSKACACBCTSL
SCHEMBL18930525 0.90 ACACB (0.45) KDM4EALDH1A1ATMCTSSCTSK
SCHEMBL18930522 0.89 ATM (0.43) ATMCTSSCTSKCTSLCTSB
SCHEMBL18930596 0.86 CTSS (0.47) ATMCTSSCTSKACACBCTSL
SCHEMBL21676546 0.85 ACACB (0.52) KDM4EALDH1A1ACACBCD274CTSC
SCHEMBL21144718 0.84 ALDH1A1 (0.46) KDM4EALDH1A1ACACBCD274CTSC
SCHEMBL21144716 0.84 ALDH1A1 (0.46) KDM4EALDH1A1ACACBCD274CTSC
SCHEMBL7425378 0.82 GAA (0.53) ALDH1A1ATMPTPN1KMT2A
SCHEMBL18930771 0.80 ATM (0.43) ATMCTSSCTSKCTSLCTSB
SCHEMBL2617251 0.80 ATM (0.51) ATMCTSSCTSKCTSLCTSB

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 KDM4E 407/4885ALDH1A1 1538/4885ATM 346/4885
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 ATAD2, ATAD2B, TAF1L KDM4E 407/4885ALDH1A1 1538/4885ATM 346/4885

“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.