SCHEMBL21144939

SCHEMBL21144939

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.43
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
NSD2 O96028 1/20 0.38
EPHX2 P34913 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.38
HTT P42858 1/20 0.38
TRPA1 O75762 1/20 0.38
CTBP2 P56545 1/20 0.37
ACE P12821 1/20 0.37
MLYCD O95822 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2A6 P11509 1/20 0.36
F2R P25116 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
SCHEMBL18920594 1.00 MAOB (0.43) MAOBMMP12MMP13NSD2EPHX2
SCHEMBL531678 0.83 HPGD (0.45) SLC6A2SLC6A4HTTTRPA1RAB9A
SCHEMBL640803 0.83 HPGD (0.45) SLC6A2SLC6A4HTTTRPA1RAB9A
SCHEMBL531859 0.83 HPGD (0.45) SLC6A2SLC6A4HTTTRPA1RAB9A
SCHEMBL532696 0.83 HPGD (0.45) SLC6A2SLC6A4HTTTRPA1RAB9A
SCHEMBL1594483 0.80 PPARG (0.40) EPHX2SLC6A2SLC6A4ACEMEN1
SCHEMBL1594480 0.80 PPARG (0.40) EPHX2SLC6A2SLC6A4ACEMEN1
SCHEMBL16932315 0.78 MMP12 (0.43) MAOBMMP12MMP13
SCHEMBL8647685 0.75 TRPA1 (0.52) NSD2EPHX2TAS2R14TRPA1MEN1
SCHEMBL1271548 0.75 TRPA1 (0.42) MMP13EPHX2HTTTRPA1MEN1

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 1713/4885MMP12 4535/4885MMP13 4748/4885
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 ATAD2, ATAD2B, TAF1L MAOB 1713/4885MMP12 4535/4885MMP13 4748/4885

“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.