SCHEMBL21144706

SCHEMBL21144706

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.43
MME P08473 2/20 0.42
ACACB O00763 4/20 0.39
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NSD2 O96028 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
HTT P42858 1/20 0.38
CTSC P53634 1/20 0.37
KCNH2 Q12809 1/20 0.37
RORC P51449 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37

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
SCHEMBL21144709 1.00 MAOB (0.43) MAOBMMEACACBMMP12MMP13
SCHEMBL21144802 0.88 MAOB (0.42) MAOBMMEACACBMMP12MMP13
SCHEMBL21144799 0.88 MAOB (0.42) MAOBMMEACACBMMP12MMP13
SCHEMBL21144895 0.84 MAOB (0.44) MAOBMMEACACBNSD2SAE1
SCHEMBL21144897 0.84 MAOB (0.44) MAOBMMEACACBNSD2SAE1
SCHEMBL18930494 0.83 ATM (0.46) MAOB
SCHEMBL21144938 0.83 MME (0.46) MAOBMMEMMP12MMP13KDM4E
SCHEMBL18920545 0.83 MME (0.46) MAOBMMEMMP12MMP13KDM4E
SCHEMBL18920509 0.82 MME (0.45) MMEMMP12MMP13SAE1UBA2
SCHEMBL21144880 0.82 MME (0.45) MMEMMP12MMP13SAE1UBA2

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 MAOB 1713/4885MME 4530/4885ACACB 840/4885
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 ATAD2, ATAD2B, TAF1L MAOB 1713/4885MME 4530/4885ACACB 840/4885

“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.