SCHEMBL21144702

SCHEMBL21144702

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.42
CCR3 P51677 1/20 0.40
SIGMAR1 Q99720 1/20 0.38
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
ABCB1 P08183 1/20 0.37
HPGD P15428 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
MGLL Q99685 1/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
CTSC P53634 2/20 0.35
KCNH2 Q12809 1/20 0.35
PIN1 Q13526 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL21144704 1.00 MME (0.42) MMECCR3SIGMAR1MKNK1MKNK2
SCHEMBL21144882 0.93 MME (0.43) MMEABCB1HPGDABCG2MMP12
SCHEMBL21144884 0.93 MME (0.43) MMEABCB1HPGDABCG2MMP12
SCHEMBL21169935 0.84 CTSS (0.44) MGLL
SCHEMBL21144966 0.81 DPP4 (0.47) CCR3SIGMAR1MKNK1MKNK2ABCB1
SCHEMBL21144963 0.81 DPP4 (0.47) CCR3SIGMAR1MKNK1MKNK2ABCB1
SCHEMBL21144938 0.81 MME (0.46) MMEMMP12MMP13MAPTCTSC
SCHEMBL18920545 0.81 MME (0.46) MMEMMP12MMP13MAPTCTSC
SCHEMBL21144925 0.80 MME (0.45) MMEMMP12MMP13MAPTCTSC
SCHEMBL21144971 0.79 MMP12 (0.42) MMEMMP12MMP13CTSCKCNH2

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 4530/4885CCR3 4795/4885SIGMAR1 4331/4885
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 ATAD2, ATAD2B, TAF1L MME 4530/4885CCR3 4795/4885SIGMAR1 4331/4885

“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.