SCHEMBL5772645

SCHEMBL5772645

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.38
LMNA P02545 5/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 1/20 0.38
GLA P06280 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CXCR1 P25024 1/20 0.35
CXCR2 P25025 1/20 0.35
KDM4E B2RXH2 2/20 0.34
CETP P11597 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
POLB P06746 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
SCHEMBL5772642 1.00 MAPT (0.38) MAPTLMNAMEN1KMT2ACYP1A2
SCHEMBL5770745 0.89 NR1I2 (0.39) MAPTLMNAMEN1KMT2AMAPK1
SCHEMBL5770095 0.82 LTA4H (0.48) MAPTLMNAMEN1KMT2AMAPK1
SCHEMBL5771359 0.81 MEN1 (0.40) MAPTLMNAMEN1KMT2AMAPK1
SCHEMBL5774956 0.80 MCHR1 (0.42) MAPTLMNAMEN1KMT2AMAPK1
SCHEMBL5770235 0.75 MCHR1 (0.40) MAPTMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL5777386 0.74 LMNA (0.47) MAPTLMNAMEN1KMT2AMAPK1
SCHEMBL5770402 0.74 MAPT (0.39) MAPTLMNAMEN1KMT2AMAPK1
SCHEMBL5772294 0.74 ENPP2 (0.40) MAPTLMNAMEN1KMT2A
SCHEMBL5771355 0.74 MAPT (0.39) MAPTLMNAMEN1KMT2ACYP1A2

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 MAPT 4701/4885LMNA 2770/4885MEN1 2811/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MAPT 4763/4885LMNA 2605/4885MEN1 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.