SCHEMBL5772904

SCHEMBL5772904

CC(C)(c1ccc(NC(=O)CCc2cnoc2-c2ccc(C(F)(F)F)cc2)cc1)P(=O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 3/20 0.48
DHODH Q02127 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
GMNN O75496 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
HTR1A P08908 1/20 0.47
THRB P10828 1/20 0.47
PIM1 P11309 1/20 0.47
CYP2C9 P11712 1/20 0.47
MAOA P21397 1/20 0.47
SLC6A2 P23975 1/20 0.47
HTR2A P28223 1/20 0.47
AGTR1 P30556 1/20 0.47
CCKBR P32239 1/20 0.47
MC4R P32245 1/20 0.47

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
SCHEMBL5770233 0.92 SMN1; SMN2 (0.40) TP53SMN1; SMN2MAPTDHODHNPC1
SCHEMBL5775516 0.91 MAPT (0.41) TP53SMN1; SMN2MAPTDHODHNPC1
SCHEMBL5773534 0.90 MAPT (0.42) TP53SMN1; SMN2MAPTDHODHNPC1
SCHEMBL5770770 0.90 MLYCD (0.41) TP53SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL5775864 0.89 SMN1; SMN2 (0.47) TP53SMN1; SMN2MAPTDHODHNPC1
SCHEMBL5773273 0.89 MAPT (0.51) TP53SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL5773488 0.88 MAPT (0.38) TP53SMN1; SMN2MAPTDHODHNPC1
SCHEMBL5774258 0.87 MAPT (0.41) TP53SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL5773332 0.86 CNR2 (0.51) TP53SMN1; SMN2MAPTDHODHNPC1
SCHEMBL5775978 0.86 MAPT (0.41) TP53SMN1; SMN2MAPTDHODHNPC1

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