SCHEMBL5774635

SCHEMBL5774635

OCCCc1cnoc1-c1ccc(F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.37
LMNA P02545 1/20 0.35
ALPL P05186 2/20 0.34
PLK4 O00444 1/20 0.34
AURKA O14965 1/20 0.34
MAPK13 O15264 1/20 0.34
DAPK3 O43293 1/20 0.34
ROCK2 O75116 1/20 0.34
CHEK2 O96017 1/20 0.34
CDK1 P06493 1/20 0.34
CSF1R P07333 1/20 0.34
PIM1 P11309 1/20 0.34
FGFR1 P11362 1/20 0.34
PRKACA P17612 1/20 0.34
FGFR3 P22607 1/20 0.34
RPS6KB1 P23443 1/20 0.34
CDK2 P24941 1/20 0.34
MARK3 P27448 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34

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
SCHEMBL5772943 0.85 PLK4 (0.36) LMNAALPLPLK4AURKAMAPK13
SCHEMBL5775740 0.81 FFAR4 (0.38) CA2LMNAALPLPLK4AURKA
SCHEMBL5776160 0.80 IDO1 (0.34) ALPLPLK4AURKAMAPK13DAPK3
SCHEMBL5777551 0.80 TDO2 (0.42) CA2LMNAMAPK9CSNK1DAURKB
SCHEMBL5773883 0.77 CCNC (0.40) ALPLPLK4AURKAMAPK13DAPK3
SCHEMBL5774745 0.76 CA2 (0.38) CA2GCGRCYP11B1CYP11B2TDO2
SCHEMBL29542435 0.75 PLK4 (0.38) CA2LMNAALPLPLK4AURKA
SCHEMBL5776428 0.75 SIRT2 (0.39) ALPLCYP3A4CYP2C9CYP2C19
SCHEMBL5777075 0.73 CA2 (0.38) CA2IDO1CYP2C9CYP2C19
SCHEMBL5770999 0.73 SIRT2 (0.40) CA2CYP11B1CYP11B2KMO

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 CA2 981/4885LMNA 2770/4885ALPL 802/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 CA2 988/4885LMNA 2605/4885ALPL 601/4885

“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.