SCHEMBL4980139

SCHEMBL4980139

N#CCC(O)CCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.45
MMP12 P39900 4/20 0.45
MMP13 P45452 3/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP14 P50281 1/20 0.45
ANPEP P15144 2/20 0.41
ERAP1 Q9NZ08 2/20 0.41
ERAP2 Q6P179 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
ACP3 P15309 1/20 0.40
CTSC P53634 1/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
KCNH2 Q12809 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 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
SCHEMBL8902774 0.85 MMP12 (0.52) MMP12MMP13MMP2MMP9MMP14
SCHEMBL3938461 0.84 MMP12 (0.51) DPP4MMP12MMP13MMP2MMP9
SCHEMBL1139615 0.84 MMP12 (0.51) DPP4MMP12MMP13MMP2MMP9
SCHEMBL28525077 0.81 MMP12 (0.48) DPP4MMP12MMP13MMP2MMP9
SCHEMBL4799370 0.81 MMP2 (0.55) DPP4MMP12MMP13MMP2MMP9
SCHEMBL6695127 0.81 MIF (0.46) DPP4MMP12MMP13MMP2MMP9
SCHEMBL15195459 0.81 DPP4 (0.45) DPP4MMP12MMP13MMP2MMP9
SCHEMBL6746625 0.80 TRPA1 (0.44) CTSCCTSSCTSK
SCHEMBL9641133 0.78 MMP12 (0.49) DPP4MMP12MMP13MMP2MMP9
SCHEMBL112302 0.77 POLB (0.45) CTSC

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-7355061-B2 Method of manufacturing cyano compounds TAKASAGO INTERNATIONAL CORPORATION (JP) 2008-04-08 US disclosed
US-20050004388-A1 Method of manufacturing cyano compounds TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-01-06 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 (1 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-20050004388-A1 Method of manufacturing cyano compounds HBB, IDH1, NOX3 DPP4 3143/4885MMP12 3664/4885MMP13 2752/4885

“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.