SCHEMBL9009145

SCHEMBL9009145

COC(=O)C(=O)C(C)P(=O)(OCC(F)(F)F)OCC(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.32
EPHX2 P34913 2/20 0.32
ACHE P22303 1/20 0.30

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
SCHEMBL2155910 0.83 HTT (0.38) HTTEPHX2ACHE
SCHEMBL262398 0.79 HTT (0.36) HTTEPHX2
SCHEMBL16689618 0.79 HTT (0.36) HTTEPHX2
SCHEMBL1443822 0.75 HTT (0.37) HTTEPHX2
SCHEMBL2154988 0.75 HTT (0.33) HTTEPHX2
SCHEMBL17032653 0.72 HTT (0.33) HTT
SCHEMBL14822032 0.71 HTT (0.37) HTTEPHX2ACHE
SCHEMBL2237839 0.67 HTT (0.34) HTTACHE
SCHEMBL2986780 0.67 CHRM1 (0.35) HTT
SCHEMBL18307749 0.66 TSHR (0.36) HTT

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-8188141-B2 Isomigrastatin analogs in the treatment of cancer SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2012-05-29 US disclosed
US-8188141-B2 Isomigrastatin analogs in the treatment of cancer SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2012-05-29 US disclosed
US-20090054488-A1 Isomigrastatin Analogs In The Treatment Of Cancer NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-02-26 US disclosed
US-20090054488-A1 Isomigrastatin Analogs In The Treatment Of Cancer NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-02-26 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-20090054488-A1 Isomigrastatin Analogs In The Treatment Of Cancer EDNRB, KDR, IGF1R HTT 4495/4885EPHX2 3168/4885ACHE 1781/4885

“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.