SCHEMBL8414550

SCHEMBL8414550

CN(C)C(=O)[C@H](O)[C@@H](O)C(=O)Nc1cccc(-c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.54
HDAC6 Q9UBN7 3/20 0.50
PNPLA2 Q96AD5 1/20 0.50
POLB P06746 2/20 0.47
CNR1 P21554 3/20 0.46
HDAC1 Q13547 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CASR P41180 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
SCHEMBL8208199 0.87 TAAR1 (0.56) POLBMEN1KMT2AKDM4E
SCHEMBL8216582 0.83 PTPN11 (0.55) MEN1KMT2A
SCHEMBL8216195 0.80 SLC1A3 (0.48) CNR1
SCHEMBL12805649 0.77 MGLL (0.66) MGLLPOLBCNR1MEN1KMT2A
SCHEMBL8414629 0.76 KCNQ2 (0.53) MEN1KMT2A
SCHEMBL8417900 0.76 TAAR1 (0.50) POLBMEN1KMT2A
SCHEMBL8414549 0.76 TAAR1 (0.50) POLBMEN1KMT2A
SCHEMBL8212396 0.75 RAB9A (0.49) POLBMEN1KMT2AKDM4E
SCHEMBL8215563 0.75 NPY5R (0.54)
SCHEMBL1750966 0.75 TAAR1 (0.73) MGLLHDAC6POLBCNR1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-7553864-B2 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION (US) 2009-06-30 US disclosed
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 US disclosed
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-06-07 US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 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 (3 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-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, ADAMTS1, ADAM33 MGLL 588/4885HDAC6 316/4885PNPLA2 700/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF MGLL 1313/4885HDAC6 246/4885PNPLA2 730/4885
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, PCSK9, ALPI MGLL 496/4885HDAC6 262/4885PNPLA2 624/4885

“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.