SCHEMBL4020010

SCHEMBL4020010

C=C(C(=O)O)C(=O)NCc1cccc(-c2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.60
ERAP2 Q6P179 1/20 0.49
ERAP1 Q9NZ08 1/20 0.49
LNPEP Q9UIQ6 1/20 0.49
CFD P00746 1/20 0.48
PADI3 Q9ULW8 5/20 0.47
PADI1 Q9ULC6 2/20 0.47
LIPG Q9Y5X9 1/20 0.47
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
SRC P12931 1/20 0.47
EPHX2 P34913 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
PADI4 Q9UM07 4/20 0.45
PADI2 Q9Y2J8 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
PLAAT3 P53816 1/20 0.44
PLAAT5 Q96KN8 1/20 0.44
PLAAT2 Q9NWW9 1/20 0.44

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
SCHEMBL6658418 0.85 ALDH1A1 (0.54) ALDH1A1LMNA
SCHEMBL6418674 0.78 AOC3 (0.67) AOC3ERAP2ERAP1LNPEPCFD
SCHEMBL5726547 0.76 CFD (0.71) AOC3CFDEPHX2NR1H4
SCHEMBL5713256 0.75 PTPN1 (0.41) SRCALDH1A1PLAAT3PLAAT5PLAAT2
SCHEMBL30259900 0.75 AOC3 (0.72) AOC3ERAP2ERAP1LNPEPCFD
SCHEMBL14365887 0.75 AOC3 (0.63) AOC3ERAP2ERAP1LNPEPCFD
SCHEMBL6230841 0.75 AOC3 (0.63) AOC3ERAP2ERAP1LNPEPCFD
SCHEMBL18459819 0.75 ALDH1A1 (0.66) AOC3ALDH1A1LMNA
SCHEMBL18638228 0.74 ERAP2 (0.67) AOC3ERAP2ERAP1LNPEPCFD
SCHEMBL31061520 0.74 AOC3 (0.75) AOC3ERAP2ERAP1LNPEPCFD

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-7482379-B2 Propenoyl hydrazides GEORGIA TECH RESEARCH CORPORATION (US) 2009-01-27 US disclosed
US-20050256058-A1 Propenoyl hydrazides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-11-17 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-20050256058-A1 Propenoyl hydrazides DNPEP, HPN, PREP AOC3 2472/4885ERAP2 163/4885ERAP1 133/4885

“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.