SCHEMBL5774078

SCHEMBL5774078

CCOP(=O)(OCC)c1ccc(NC(=O)CCCc2cnoc2-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.53
EPHX2 P34913 1/20 0.53
MAPT P10636 5/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
THRB P10828 1/20 0.40
HDAC3 O15379 4/20 0.40
HDAC1 Q13547 4/20 0.40
HDAC2 Q92769 4/20 0.40
HDAC6 Q9UBN7 4/20 0.40
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
TRPV1 Q8NER1 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL5777143 0.94 LTA4H (0.57) LTA4HEPHX2MAPTALDH1A1LMNA
SCHEMBL5772488 0.88 LTA4H (0.49) LTA4HEPHX2MAPTALDH1A1LMNA
SCHEMBL5773366 0.87 LTA4H (0.43) LTA4HEPHX2MAPTALDH1A1LMNA
SCHEMBL5770095 0.85 LTA4H (0.48) LTA4HEPHX2MAPTALDH1A1LMNA
SCHEMBL5775544 0.85 LTA4H (0.48) LTA4HEPHX2MAPTALDH1A1LMNA
SCHEMBL5772828 0.82 LTA4H (0.48) LTA4HEPHX2MAPTALDH1A1LMNA
SCHEMBL5776429 0.82 LTA4H (0.46) LTA4HEPHX2MAPTALDH1A1LMNA
SCHEMBL5771726 0.81 LTA4H (0.46) LTA4HEPHX2MAPTALDH1A1LMNA
SCHEMBL5772612 0.81 LTA4H (0.46) LTA4HEPHX2MAPTALDH1A1LMNA
SCHEMBL5773844 0.81 HDAC3 (0.40) MAPTALDH1A1LMNAMAPK1MEN1

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.