SCHEMBL2893282

SCHEMBL2893282

O=C(O)C(F)c1ccc(I)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.44
PDPK1 O15530 2/20 0.40
GSK3B P49841 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
ACACB O00763 1/20 0.37
SRC P12931 2/20 0.35
CAPN1 P07384 1/20 0.35
CAPN2 P17655 1/20 0.35
CNR1 P21554 1/20 0.35
KEAP1 Q14145 2/20 0.35
NFE2L2 Q16236 2/20 0.35
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35
PTPN11 Q06124 1/20 0.35
CYP2D6 P10635 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
Acetic Acid SCHEMBL28432454 0.94 TPMT (0.40) TPMTPDPK1GSK3BCA1CA2
SCHEMBL29009777 0.81 SRC (0.38) SRCKEAP1NFE2L2CYP2D6
SCHEMBL1142809 0.79 SRC (0.55) CA1CA2SRCCYP2D6
SCHEMBL9157493 0.79 HDAC3 (0.47) CA1CA2
SCHEMBL241909 0.78 SRC (0.56) SRCKEAP1NFE2L2CYP2D6
SCHEMBL28232476 0.78 SRC (0.56) SRCKEAP1NFE2L2CYP2D6
SCHEMBL28232530 0.78 SRC (0.56) SRCKEAP1NFE2L2CYP2D6
SCHEMBL11254414 0.77 POLB (0.41) SRCCNR1KEAP1NFE2L2
SCHEMBL2399005 0.77 KEAP1 (0.53) CNR1KEAP1NFE2L2
SCHEMBL11405448 0.77 CYP2C9 (0.46) CNR1CYP2D6

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
EP-2098517-B1 NOVEL PHENYL-ISOXAZOL-3-OL DERIVATIVE MSD KK (JP) 2013-12-18 EP disclosed
US-8367708-B2 Phenyl-isoxazol-3-ol derivative MSD K.K. (JP) 2013-02-05 US disclosed
US-20100130559-A1 NOVEL PHENYL-ISOXAZOL-3-OL DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
EP-2098517-A1 NOVEL PHENYL-ISOXAZOL-3-OL DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-09 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 (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-20100130559-A1 NOVEL PHENYL-ISOXAZOL-3-OL DERIVATIVE GPR119, FFAR3, FFAR2 TPMT 4670/4885PDPK1 2244/4885GSK3B 3703/4885

“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.