SCHEMBL16201790

SCHEMBL16201790

C#CCC(C(N)=O)C(O)CCc1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.39
IL1RN P18510 1/20 0.38
ERAP2 Q6P179 1/20 0.38
ERAP1 Q9NZ08 1/20 0.38
LNPEP Q9UIQ6 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
SRD5A2 P31213 2/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP8 P22894 1/20 0.36
ATM Q13315 1/20 0.36
VNN1 O95497 1/20 0.36
F10 P00742 1/20 0.36
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35
MMP14 P50281 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL16201789 0.90 SRD5A2 (0.40) DPP4MEN1KMT2ASRD5A2MMP2
SCHEMBL16201808 0.85 PSEN1 (0.37) DPP4MEN1KMT2ASRD5A2MMP2
SCHEMBL15013828 0.78 S1PR2 (0.44) DPP4MEN1KMT2AMMP3ALDH1A1
SCHEMBL16201805 0.77 MMP2 (0.39) DPP4SRD5A2MMP2MMP9MMP1
SCHEMBL4932169 0.76 MMP12 (0.51) MMP2MMP9MMP12MMP13MMP14
SCHEMBL16194341 0.75 ERAP1 (0.46) DPP4IL1RNERAP2ERAP1MEN1
SCHEMBL16201815 0.75 ERAP1 (0.46) DPP4IL1RNERAP2ERAP1MEN1
SCHEMBL16194340 0.75 ERAP1 (0.46) DPP4IL1RNERAP2ERAP1MEN1
SCHEMBL27696370 0.74 ALDH1A1 (0.54) DPP4MEN1KMT2ASRD5A2MMP2
SCHEMBL16201778 0.73 KIF11 (0.39)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140323457-A1 BETA-O/S/N FATTY ACID BASED COMPOUNDS AS ANTIBACTERIAL AND ANTIPROTOZOAL AGENTS Technische Universität München (DE) 2014-10-30 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-20140323457-A1 BETA-O/S/N FATTY ACID BASED COMPOUNDS AS ANTIBACTERIAL AND ANTIPROTOZOAL AGENTS FASN, DEGS1, EBP DPP4 3451/4885IL1RN 2350/4885ERAP2 2830/4885

“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.