SCHEMBL21144971

SCHEMBL21144971

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.42
MMP13 P45452 1/20 0.42
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
HTT P42858 1/20 0.41
MME P08473 3/20 0.40
CTSC P53634 9/20 0.40
KCNH2 Q12809 4/20 0.40
CTBP2 P56545 1/20 0.40
DPP4 P27487 1/20 0.39
FAP Q12884 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
MAOB P27338 1/20 0.38
ACACB O00763 1/20 0.38
CTSK P43235 2/20 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
SCHEMBL21144973 1.00 MMP12 (0.42) MMP12MMP13SAE1UBA2HTT
SCHEMBL18920691 0.88 MAPK1 (0.47) MMP12MMP13SAE1UBA2HTT
SCHEMBL21144850 0.88 MAPK1 (0.47) MMP12MMP13SAE1UBA2HTT
SCHEMBL23357210 0.88 MAPK1 (0.47) MMP12MMP13SAE1UBA2HTT
SCHEMBL21144620 0.84 CTSC (0.44) MMP12MMP13SAE1UBA2HTT
SCHEMBL18920557 0.84 CTSC (0.44) MMP12MMP13SAE1UBA2HTT
SCHEMBL21144679 0.83 MME (0.38) MMP12MMP13SAE1UBA2HTT
SCHEMBL21144676 0.83 MME (0.38) MMP12MMP13SAE1UBA2HTT
SCHEMBL21144777 0.82 ADRB2 (0.41) MMP12MMP13SAE1UBA2HTT
SCHEMBL21144775 0.82 ADRB2 (0.41) MMP12MMP13SAE1UBA2HTT

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 2 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
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 MMP12 4535/4885MMP13 4748/4885SAE1 1113/4885
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 ATAD2, ATAD2B, TAF1L MMP12 4535/4885MMP13 4748/4885SAE1 1113/4885

“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.