SCHEMBL5774525

SCHEMBL5774525

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.36
TP53 P04637 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
RORC P51449 7/20 0.35
RORA P35398 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
CNR2 P34972 2/20 0.33
NPC1 O15118 2/20 0.33
LMNA P02545 2/20 0.33
RAB9A P51151 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
GMNN O75496 1/20 0.33
CYP1A2 P05177 1/20 0.33
HTR1A P08908 1/20 0.33
THRB P10828 1/20 0.33
PIM1 P11309 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAOA P21397 1/20 0.33
SLC6A2 P23975 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
SCHEMBL5773239 0.92 MAPT (0.37) MAPTTP53SMN1; SMN2RORCRORA
SCHEMBL5772698 0.90 TSHR (0.39) MAPTTP53SMN1; SMN2CNR2LMNA
SCHEMBL5776566 0.90 MEN1 (0.37) MAPTTP53SMN1; SMN2CNR2NPC1
SCHEMBL5771562 0.90 SMN1; SMN2 (0.37) MAPTTP53SMN1; SMN2RORCRORA
SCHEMBL5773308 0.88 MEN1 (0.39) MAPTTP53SMN1; SMN2RORCRORA
SCHEMBL5771355 0.88 MAPT (0.39) MAPTTP53SMN1; SMN2CNR2NPC1
SCHEMBL5777446 0.88 MEN1 (0.41) MAPTTP53SMN1; SMN2NPC1LMNA
SCHEMBL5775864 0.86 SMN1; SMN2 (0.47) MAPTTP53SMN1; SMN2CNR2NPC1
SCHEMBL5777020 0.86 MAPT (0.42) MAPTTP53SMN1; SMN2CNR2NPC1
SCHEMBL5771812 0.85 MAPT (0.38) MAPTTP53SMN1; SMN2CNR2NPC1

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 4701/4885TP53 4371/4885SMN1; SMN2 3383/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MAPT 4763/4885TP53 4446/4885SMN1; SMN2 2449/4885

“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.