SCHEMBL21144923

SCHEMBL21144923

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.45
MAOB P27338 1/20 0.40
CTSC P53634 2/20 0.40
KCNH2 Q12809 1/20 0.40
ACACB O00763 5/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ACE P12821 1/20 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
XDH P47989 1/20 0.38
NLRP3 Q96P20 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL21144925 1.00 MME (0.45) MMEMAOBCTSCKCNH2ACACB
SCHEMBL21144938 0.88 MME (0.46) MMEMAOBCTSCKCNH2ACE
SCHEMBL18920545 0.88 MME (0.46) MMEMAOBCTSCKCNH2ACE
SCHEMBL21170182 0.83 ATM (0.46)
SCHEMBL18920509 0.82 MME (0.45) MMECTSCKCNH2MMP12MMP13
SCHEMBL21144880 0.82 MME (0.45) MMECTSCKCNH2MMP12MMP13
SCHEMBL21144884 0.82 MME (0.43) MMECTSCKCNH2MEN1KMT2A
SCHEMBL21144882 0.82 MME (0.43) MMECTSCKCNH2MEN1KMT2A
SCHEMBL21144709 0.82 MAOB (0.43) MMEMAOBCTSCKCNH2ACACB
SCHEMBL21144706 0.82 MAOB (0.43) MMEMAOBCTSCKCNH2ACACB

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 4530/4885MAOB 1713/4885CTSC 3793/4885
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 ATAD2, ATAD2B, TAF1L MME 4530/4885MAOB 1713/4885CTSC 3793/4885

“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.