SCHEMBL5776429

SCHEMBL5776429

CCOP(=O)(OCC)c1ccc(NC(=O)CCc2cnoc2-c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.46
EPHX2 P34913 1/20 0.46
MAPT P10636 12/20 0.41
KMT2A Q03164 8/20 0.41
MEN1 O00255 7/20 0.41
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.41
HPGD P15428 1/20 0.41
TP53 P04637 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
PKM P14618 1/20 0.39
ALDH1A1 P00352 4/20 0.39
POLB P06746 2/20 0.38
RXFP1 Q9HBX9 1/20 0.37
MAPK1 P28482 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.36
YES1 P07947 1/20 0.36

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
SCHEMBL5773486 0.88 MAPT (0.41) LTA4HEPHX2MAPTKMT2AMEN1
SCHEMBL5770095 0.87 LTA4H (0.48) LTA4HEPHX2MAPTKMT2AMEN1
SCHEMBL5775544 0.87 LTA4H (0.48) LTA4HEPHX2MAPTKMT2AMEN1
SCHEMBL5777143 0.87 LTA4H (0.57) LTA4HEPHX2MAPTKMT2AMEN1
SCHEMBL5776647 0.83 LTA4H (0.47) LTA4HEPHX2MAPTKMT2AMEN1
SCHEMBL5772828 0.83 LTA4H (0.48) LTA4HEPHX2MAPTKMT2AMEN1
SCHEMBL5773786 0.82 MAPT (0.46) LTA4HEPHX2MAPTKMT2AMEN1
SCHEMBL5774259 0.82 ALDH1A1 (0.42) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL5774078 0.82 LTA4H (0.53) LTA4HEPHX2MAPTKMT2AMEN1
SCHEMBL5773482 0.82 MAPT (0.40) MAPTKMT2AMEN1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 EP 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 (2 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-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR LTA4H 3298/4885EPHX2 1846/4885MAPT 4701/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 LTA4H 3891/4885EPHX2 2389/4885MAPT 4763/4885

“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.