SCHEMBL21144679

SCHEMBL21144679

N#Cc1ccc(CC(CNCCO)NC(=O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.38
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
HTT P42858 1/20 0.38
CTSC P53634 5/20 0.37
KCNH2 Q12809 3/20 0.37
CTBP2 P56545 1/20 0.37
FPR1 P21462 4/20 0.36
FPR2 P25090 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
ATM Q13315 1/20 0.36
MAOB P27338 1/20 0.36
DPP4 P27487 1/20 0.36
FAP Q12884 1/20 0.36
DPP8 Q6V1X1 1/20 0.36

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
SCHEMBL21144676 1.00 MME (0.38) MMESAE1UBA2HTTCTSC
SCHEMBL21144973 0.83 MMP12 (0.42) MMESAE1UBA2HTTCTSC
SCHEMBL21144971 0.83 MMP12 (0.42) MMESAE1UBA2HTTCTSC
SCHEMBL23357210 0.83 MAPK1 (0.47) MMESAE1UBA2HTTCTSC
SCHEMBL18920691 0.83 MAPK1 (0.47) MMESAE1UBA2HTTCTSC
SCHEMBL21144850 0.83 MAPK1 (0.47) MMESAE1UBA2HTTCTSC
SCHEMBL21144884 0.82 MME (0.43) MMESAE1UBA2HTTCTSC
SCHEMBL21144882 0.82 MME (0.43) MMESAE1UBA2HTTCTSC
SCHEMBL21144783 0.80 ACACB (0.43) MEN1KMT2AMAOBCTSK
SCHEMBL21144780 0.80 ACACB (0.43) MEN1KMT2AMAOBCTSK

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 MME 4530/4885SAE1 1113/4885UBA2 1435/4885
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 ATAD2, ATAD2B, TAF1L MME 4530/4885SAE1 1113/4885UBA2 1435/4885

“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.