SCHEMBL10072323

SCHEMBL10072323

COC(=O)c1ccc(C2=NOC(c3cc(C)cc(C(F)(F)F)c3)(C(F)(F)F)C2)c2ccccc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 1/20 0.34
PDK2 Q15119 5/20 0.33
MAPT P10636 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 1/20 0.33
BDKRB1 P46663 1/20 0.32
ADCY8 P40145 1/20 0.32
ADCY1 Q08828 1/20 0.32
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
PRSS1 P07477 1/20 0.31
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL869874 0.94 CFTR (0.37) CFTRLMNAGAAPDK2MAPT
SCHEMBL870666 0.91 CFTR (0.34) CFTRLMNAGAAPDK2MAPT
SCHEMBL10072324 0.91 TAS2R14 (0.39) LMNAHDAC3HDAC1HDAC2HDAC6
SCHEMBL980171 0.90 PDK2 (0.39) CFTRLMNAGAAPDK2MAPT
SCHEMBL10072338 0.90 PDK2 (0.34) LMNAGAAPDK2MAPTHPGD
SCHEMBL16692835 0.89 PDK2 (0.40) LMNAGAAPDK2MAPTHPGD
SCHEMBL870037 0.86 PDK2 (0.43) LMNAGAAPDK2MAPTKDM4E
SCHEMBL10072325 0.85 GPR52 (0.37)
SCHEMBL871262 0.85 PDK2 (0.40) LMNAGAAPDK2MAPTKDM4E
SCHEMBL869547 0.85 PDK2 (0.42) LMNAGAAPDK2MAPTHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404649-B2 Isoxazoline oximes as antiparasitic agents AH USA 42 LLC (US) 2013-03-26 US disclosed
US-20120077765-A1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS PFIZER INC. (US) 2012-03-29 US 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 (1 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-20120077765-A1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS CYP1A2, CYP3A7, CYP2E1 CFTR 1430/4885LMNA 1737/4885GAA 2228/4885

“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.