SCHEMBL16301507

SCHEMBL16301507

CC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Cc1c[nH]c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 7/20 0.66
▸ ACE P12821 2/20 0.62
▸ MMP9 P14780 7/20 0.61
▸ MMP8 P22894 7/20 0.61
▸ MMP1 P03956 3/20 0.61
▸ MMP3 P08254 2/20 0.61
▸ KDM4E B2RXH2 1/20 0.60
▸ APAF1 O14727 1/20 0.60
▸ POLB P06746 1/20 0.60
▸ MAPT P10636 1/20 0.60
▸ RECQL P46063 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ MMP2 P08253 7/20 0.59
▸ ADAM10 O14672 1/20 0.59
▸ ADAM12 O43184 1/20 0.59
▸ ADAMTS4 O75173 1/20 0.59
▸ MMP7 P09237 1/20 0.59
▸ MMP12 P39900 1/20 0.59
▸ MMP13 P45452 1/20 0.59
▸ MMP14 P50281 1/20 0.59

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
SCHEMBL26169713 1.00 ECE1 (0.66) ECE1ACEMMP9MMP8MMP1
SCHEMBL26444796 0.90 MMP8 (0.56) ECE1ACEMMP9MMP8MMP1
SCHEMBL21955437 0.88 ACE (0.72) ECE1ACEMMP9MMP8MMP1
SCHEMBL21929715 0.87 ACE (0.61) ECE1ACEMMP9MMP8MMP1
SCHEMBL7854107 0.84 KDM4E (0.70) ECE1ACEMMP9MMP8MMP1
SCHEMBL13074475 0.83 ECE1 (0.54) ECE1MMP9MMP8MMP1MMP3
SCHEMBL26168931 0.83 POLB (0.62) ECE1ACEMMP9MMP8MMP1
SCHEMBL13723039 0.83 MMP9 (0.57) ECE1ACEMMP9MMP8MMP1
SCHEMBL24915375 0.83 ACE (0.67) ECE1ACEMMP9MMP8MMP1
SCHEMBL16656724 0.83 ECE1 (0.67) ECE1ACEMMP9MMP8MMP1

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-20110313136-A1 IgG-Fc FRAGMENT AND PROCESS FOR PRODUCING THE SAME OTSUKA CHEMICAL CO., LTD. (JP) 2011-12-22 — — 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-20110313136-A1 IgG-Fc FRAGMENT AND PROCESS FOR PRODUCING THE SAME FCGR1A, FCGR2A, FCGR3B ECE1 4199/4885ACE 3398/4885MMP9 4522/4885

“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.

Send feedback