SCHEMBL16201815

SCHEMBL16201815

NC(=O)[C@H](CCc1ccccc1)C(O)CCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERAP1 Q9NZ08 4/20 0.46
ERAP2 Q6P179 3/20 0.46
ANPEP P15144 2/20 0.46
METAP2 P50579 1/20 0.44
METAP1 P53582 1/20 0.44
CNR2 P34972 1/20 0.44
TRPA1 O75762 1/20 0.44
TSHR P16473 1/20 0.44
EPHX1 P07099 1/20 0.43
DPP4 P27487 1/20 0.43
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP12 P39900 1/20 0.42
MMP13 P45452 1/20 0.42
MMP14 P50281 1/20 0.42
KEAP1 Q14145 1/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
IL1RN P18510 2/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL16194340 1.00 ERAP1 (0.46) ERAP1ERAP2ANPEPMETAP2METAP1
SCHEMBL16194341 1.00 ERAP1 (0.46) ERAP1ERAP2ANPEPMETAP2METAP1
SCHEMBL16201818 0.88 TSHR (0.44) ERAP1ERAP2ANPEPMETAP2METAP1
SCHEMBL16201774 0.88 TSHR (0.44) ERAP1ERAP2ANPEPMETAP2METAP1
SCHEMBL16201777 0.85 CNR2 (0.46) ERAP1ERAP2ANPEPCNR2TSHR
SCHEMBL16194597 0.85 CSNK1E (0.52) CNR2TRPA1KMT2A
SCHEMBL16194598 0.85 CSNK1E (0.52) CNR2TRPA1KMT2A
SCHEMBL16201776 0.84 CYP2C19 (0.41) ERAP1ERAP2ANPEPMETAP2METAP1
SCHEMBL16201773 0.84 CYP2C19 (0.41) ERAP1ERAP2ANPEPMETAP2METAP1
SCHEMBL15005076 0.82 FAAH (0.39) ERAP1ERAP2ANPEPTRPA1LMNA

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 ERAP1 2859/4885ERAP2 2830/4885ANPEP 1324/4885

“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.