SCHEMBL21144880

SCHEMBL21144880

N#Cc1ccc(CC(CC(N)=O)NC(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.45
CTSC P53634 11/20 0.42
KCNH2 Q12809 5/20 0.42
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
HTT P42858 1/20 0.40
DPP4 P27487 1/20 0.40
CTSK P43235 1/20 0.40
CTBP2 P56545 1/20 0.39
PIN1 Q13526 1/20 0.39
IDO1 P14902 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
SCHEMBL18920509 1.00 MME (0.45) MMECTSCKCNH2MMP12MMP13
SCHEMBL18920557 0.85 CTSC (0.44) MMECTSCKCNH2MMP12MMP13
SCHEMBL21144620 0.85 CTSC (0.44) MMECTSCKCNH2MMP12MMP13
SCHEMBL23357210 0.84 MAPK1 (0.47) MMECTSCKCNH2MMP12MMP13
SCHEMBL18920691 0.84 MAPK1 (0.47) MMECTSCKCNH2MMP12MMP13
SCHEMBL21144850 0.84 MAPK1 (0.47) MMECTSCKCNH2MMP12MMP13
SCHEMBL18920545 0.83 MME (0.46) MMECTSCKCNH2MMP12MMP13
SCHEMBL21144938 0.83 MME (0.46) MMECTSCKCNH2MMP12MMP13
SCHEMBL21144923 0.82 MME (0.45) MMECTSCKCNH2MMP12MMP13
SCHEMBL21144709 0.82 MAOB (0.43) MMECTSCKCNH2MMP12MMP13

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 4530/4885CTSC 3793/4885KCNH2 2927/4885
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 ATAD2, ATAD2B, TAF1L MME 4530/4885CTSC 3793/4885KCNH2 2927/4885

“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.