SCHEMBL21144696

SCHEMBL21144696

N#Cc1ccc(CC(CC(=O)N2CCOCC2)NC(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.46
ACACB O00763 3/20 0.43
CTSC P53634 2/20 0.43
KCNH2 Q12809 1/20 0.43
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CTSS P25774 3/20 0.41
MAPT P10636 1/20 0.41
MMP8 P22894 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
FKBP1A P62942 1/20 0.40
FPR1 P21462 2/20 0.39
FPR2 P25090 2/20 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
SCHEMBL21144694 1.00 DPP4 (0.46) DPP4ACACBCTSCKCNH2LTB4R
SCHEMBL21144761 0.90 FPR1 (0.48) DPP4ACACBCTSCKCNH2FPR1
SCHEMBL21144763 0.90 FPR1 (0.48) DPP4ACACBCTSCKCNH2FPR1
SCHEMBL21144739 0.86 DPP4 (0.46) DPP4ACACBKCNH2FPR1FPR2
SCHEMBL21144741 0.86 DPP4 (0.46) DPP4ACACBKCNH2FPR1FPR2
SCHEMBL18930596 0.84 CTSS (0.47) DPP4ACACBCTSCKCNH2LTB4R
SCHEMBL21144716 0.84 ALDH1A1 (0.46) DPP4ACACBCTSCKCNH2LTB4R
SCHEMBL21144718 0.84 ALDH1A1 (0.46) DPP4ACACBCTSCKCNH2LTB4R
SCHEMBL21144737 0.82 CD274 (0.49) ACACBCTSCKCNH2LTB4RLTB4R2
SCHEMBL21144953 0.81 DPP4 (0.67) DPP4CTSCKCNH2LTB4RLTB4R2

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 DPP4 3896/4885ACACB 840/4885CTSC 3793/4885
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 ATAD2, ATAD2B, TAF1L DPP4 3896/4885ACACB 840/4885CTSC 3793/4885

“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.