SCHEMBL5770745

SCHEMBL5770745

CCOP(=O)(OCC)C(=Cc1ccc(NC(=O)CCc2cnoc2-c2ccc(F)cc2)cc1)P(=O)(OCC)OCC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.39
MAPT P10636 10/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
LMNA P02545 4/20 0.36
MAPK1 P28482 3/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GLA P06280 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LTA4H P09960 1/20 0.35
EPHX2 P34913 1/20 0.35
ALDH1A1 P00352 1/20 0.35
FAAH O00519 1/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL5772642 0.89 MAPT (0.38) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL5772645 0.89 MAPT (0.38) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL5770095 0.85 LTA4H (0.48) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL5771359 0.84 MEN1 (0.40) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL5774956 0.83 MCHR1 (0.42) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL5770235 0.78 MCHR1 (0.40) MAPTMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL5777386 0.78 LMNA (0.47) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL5770402 0.78 MAPT (0.39) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL5772294 0.78 ENPP2 (0.40) MAPTMEN1KMT2ALMNALTA4H
SCHEMBL5771355 0.78 MAPT (0.39) MAPTMEN1KMT2ALMNASMN1; 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 NR1I2 103/4885MAPT 4701/4885MEN1 2811/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 NR1I2 60/4885MAPT 4763/4885MEN1 2072/4885

“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.