SCHEMBL21144894

SCHEMBL21144894

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.42
MAOB P27338 1/20 0.41
NLRP3 Q96P20 1/20 0.41
ACACB O00763 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
FPR2 P25090 3/20 0.39
FPR1 P21462 2/20 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
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
FOLH1 Q04609 1/20 0.39
CTSC P53634 1/20 0.39
KCNH2 Q12809 1/20 0.39
LTB4R Q15722 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
SCHEMBL21144896 1.00 ACE (0.42) ACEMAOBNLRP3ACACBMEN1
SCHEMBL18930772 0.83 CTSS (0.55) ACECTSSCTSK
SCHEMBL19521215 0.81 MMP9 (0.47) ACEFPR2FPR1CTSSCTSK
SCHEMBL19521217 0.81 MMP9 (0.47) ACEFPR2FPR1CTSSCTSK
SCHEMBL23270509 0.80 MMP9 (0.52) ACEMAOBNLRP3FPR2FPR1
SCHEMBL23270508 0.80 MMP9 (0.52) ACEMAOBNLRP3FPR2FPR1
SCHEMBL21144719 0.78 CTSC (0.42) NLRP3FPR2FPR1CTSCKCNH2
SCHEMBL21144717 0.78 CTSC (0.42) NLRP3FPR2FPR1CTSCKCNH2
SCHEMBL11125091 0.78 MEN1 (0.46) ACEMEN1KMT2AL3MBTL1CTSS
SCHEMBL11125088 0.78 MEN1 (0.46) ACEMEN1KMT2AL3MBTL1CTSS

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 ACE 1839/4885MAOB 1713/4885NLRP3 1871/4885
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 ATAD2, ATAD2B, TAF1L ACE 1839/4885MAOB 1713/4885NLRP3 1871/4885

“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.