SCHEMBL5774530

SCHEMBL5774530

CCOP(=O)(Cc1ccc(NC(=O)CCc2cnoc2-c2ccc(F)c(Br)c2)cc1)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.38
LTA4H P09960 1/20 0.36
EPHX2 P34913 1/20 0.36
ENTPD1 P49961 1/20 0.35
MAPT P10636 9/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
MAPK1 P28482 4/20 0.35
LMNA P02545 3/20 0.35
GLA P06280 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
HDAC1 Q13547 3/20 0.34
HDAC2 Q92769 2/20 0.34
ENPP2 Q13822 1/20 0.33
DGAT2 Q96PD7 1/20 0.33

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
SCHEMBL5773241 0.93 BTK (0.39) BTKLTA4HEPHX2ENTPD1MAPT
SCHEMBL5771564 0.92 MAPT (0.37) MAPTMEN1KMT2AMAPK1LMNA
SCHEMBL5776568 0.90 LMNA (0.38) BTKLTA4HEPHX2ENTPD1MAPT
SCHEMBL5772702 0.90 MEN1 (0.39) BTKLTA4HEPHX2ENTPD1MAPT
SCHEMBL5773311 0.89 BTK (0.38) BTKLTA4HEPHX2ENTPD1MAPT
SCHEMBL5773083 0.88 LTA4H (0.45) LTA4HEPHX2MAPTMEN1KMT2A
SCHEMBL5771359 0.88 MEN1 (0.40) BTKLTA4HEPHX2ENTPD1MAPT
SCHEMBL5777451 0.88 MEN1 (0.41) LTA4HEPHX2ENTPD1MAPTMEN1
SCHEMBL5777014 0.86 MEN1 (0.46) BTKLTA4HEPHX2ENTPD1MAPT
SCHEMBL5771814 0.85 MAPT (0.40) BTKLTA4HEPHX2ENTPD1MAPT

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 BTK 1842/4885LTA4H 3298/4885EPHX2 1846/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 BTK 2179/4885LTA4H 3891/4885EPHX2 2389/4885

“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.