SCHEMBL5772635

SCHEMBL5772635

CCC(CC)(c1ccc(NC(=O)CCc2conc2-c2ccc(Cl)cc2)cc1)P(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
MAPK1 P28482 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41
GABRA5 P31644 10/20 0.39
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GHSR Q92847 1/20 0.38
STAT3 P40763 1/20 0.37
LPAR1 Q92633 1/20 0.37

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
SCHEMBL5207015 0.81 MAPT (0.41) MAPTMEN1KMT2ALMNAGLA
SCHEMBL5208991 0.81 MAPT (0.39) MAPTMEN1KMT2ALMNAGLA
SCHEMBL5777020 0.81 MAPT (0.42) MAPTMEN1KMT2ALMNAGLA
SCHEMBL5211936 0.81 MAPT (0.42) MAPTMEN1KMT2ALMNAGLA
SCHEMBL5207462 0.79 MAPT (0.41) MAPTMEN1KMT2ALMNAGLA
SCHEMBL5772629 0.79 MEN1 (0.46) MAPTMEN1KMT2ALMNAGLA
SCHEMBL4837046 0.79 HTR2A (0.39) MAPTMEN1KMT2ALMNAGLA
SCHEMBL5207665 0.78 HTT (0.49) MAPTMEN1KMT2ALMNAGLA
SCHEMBL5208383 0.78 SMO (0.43) MAPTMEN1KMT2ATP53SMN1; SMN2
SCHEMBL5207600 0.77 TP53 (0.44) MAPTMEN1KMT2ALMNAGLA

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 4701/4885MEN1 2811/4885KMT2A 3907/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MAPT 4763/4885MEN1 2072/4885KMT2A 2906/4885

“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.