SCHEMBL5776566

SCHEMBL5776566

CCC(CC)(c1ccc(NC(=O)CCc2cnoc2-c2ccc(Cl)c(Br)c2)cc1)P(=O)(O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 8/20 0.36
SMN1; SMN2 Q16637 6/20 0.36
ALDH1A1 P00352 4/20 0.36
CDK8 P49336 1/20 0.36
TP53 P04637 3/20 0.35
LMNA P02545 3/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 4/20 0.35
MAPK10 P53779 1/20 0.35
CNR2 P34972 1/20 0.35
GLA P06280 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL5774525 0.90 MAPT (0.36) MEN1KMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL5773308 0.90 MEN1 (0.39) MEN1KMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL5772698 0.88 TSHR (0.39) MEN1KMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL5777020 0.88 MAPT (0.42) MEN1KMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL5777446 0.88 MEN1 (0.41) MEN1KMT2ACYP3A4CYP2C19MAPT
SCHEMBL5771812 0.87 MAPT (0.38) MEN1KMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL5773239 0.85 MAPT (0.37) MEN1KMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL5775864 0.84 SMN1; SMN2 (0.47) MEN1KMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL5771355 0.84 MAPT (0.39) MEN1KMT2ACYP3A4CYP2C19MAPT
SCHEMBL5771724 0.84 MAPT (0.41) MEN1KMT2ACYP3A4CYP2C19MAPT

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 MEN1 2811/4885KMT2A 3907/4885CYP3A4 39/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MEN1 2072/4885KMT2A 2906/4885CYP3A4 76/4885

“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.