SCHEMBL5773092

SCHEMBL5773092

COP(=O)(Cc1ccc(NC(=O)CCc2c(-c3ccccc3)noc2-c2ccccc2)cc1)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.42
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL5774395 0.90 MAPT (0.43) ALDH1A1MAPTCYP2C9CYP2C19MEN1
SCHEMBL5770775 0.82 MAPT (0.41) ALDH1A1MAPTCYP2C9CYP2C19MEN1
SCHEMBL5776990 0.81 MAPT (0.46) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL5773088 0.80 MAPT (0.45) PTGS1ALDH1A1MAPTCYP2C9CYP2C19
SCHEMBL5773844 0.78 HDAC3 (0.40) ALDH1A1MAPTCYP2C9CYP2C19MEN1
SCHEMBL5775547 0.75 KMT2A (0.46) ALDH1A1MAPTCYP2C9CYP2C19MEN1
SCHEMBL5214838 0.75 KDM4E (0.49) ALDH1A1MAPTCYP2C9CYP2C19MEN1
SCHEMBL22769587 0.74 PTGS1 (0.48) PTGS1ALDH1A1CYP2C19MAPK1CYP3A4
SCHEMBL5775518 0.73 MAPT (0.43) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL5771116 0.73 MAPT (0.59) ALDH1A1MAPTMEN1KMT2AMAPK1

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 PTGS1 2366/4885ALDH1A1 1045/4885MAPT 4701/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 PTGS1 1159/4885ALDH1A1 682/4885MAPT 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.