SCHEMBL4825675

SCHEMBL4825675

O=C(Nc1cc(OCCCO/N=C/c2ccc(-c3ccccc3)cc2)ccc1C(=O)O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 4/20 0.47
IGF2BP2 Q9Y6M1 1/20 0.47
CTDSP1 Q9GZU7 2/20 0.46
PLK1 P53350 2/20 0.45
HDAC2 Q92769 2/20 0.42
KCNK2 O95069 1/20 0.42
KCNK10 P57789 1/20 0.42
HDAC1 Q13547 1/20 0.42
DHODH Q02127 1/20 0.42
TRPM2 O94759 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
MCHR1 Q99705 1/20 0.41
TRPA1 O75762 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.40
NTRK1 P04629 1/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL4825688 1.00 ACLY (0.47) ACLYIGF2BP2CTDSP1PLK1HDAC2
SCHEMBL4826497 0.95 CTDSP1 (0.50) CTDSP1PLK1KCNK2KCNK10NPC1
SCHEMBL4826504 0.95 CTDSP1 (0.50) CTDSP1PLK1KCNK2KCNK10NPC1
SCHEMBL4830819 0.94 ACLY (0.53) ACLYIGF2BP2CTDSP1PLK1HDAC2
SCHEMBL4830825 0.94 ACLY (0.53) ACLYIGF2BP2CTDSP1PLK1HDAC2
SCHEMBL4831288 0.92 IGF2BP2 (0.55) ACLYIGF2BP2CTDSP1PLK1HDAC2
SCHEMBL4831282 0.92 IGF2BP2 (0.55) ACLYIGF2BP2CTDSP1PLK1HDAC2
SCHEMBL4833874 0.92 PLK1 (0.47) IGF2BP2PLK1HDAC2KCNK2KCNK10
SCHEMBL4833858 0.92 PLK1 (0.47) IGF2BP2PLK1HDAC2KCNK2KCNK10
SCHEMBL4827028 0.91 CTDSP1 (0.46) IGF2BP2CTDSP1PLK1KCNK2KCNK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7420083-B2 Substituted aryloximes WYETH (US) 2008-09-02 US claimed
US-20050070584-A1 Substituted aryloximes WYETH (US) 2005-03-31 US claimed
US-20080293790-A1 SUBSTITUTED ARYL OXIMES WYETH (US) 2008-11-27 US disclosed
US-7420083-B2 Substituted aryloximes WYETH (US) 2008-09-02 US disclosed
US-20050070584-A1 Substituted aryloximes WYETH (US) 2005-03-31 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 (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-20050070584-A1 Substituted aryloximes AHR, NQO1, AOX1 ACLY 1961/4885IGF2BP2 3245/4885CTDSP1 2943/4885
US-20080293790-A1 SUBSTITUTED ARYL OXIMES HCCS, AOX1, TET2 ACLY 1508/4885IGF2BP2 3268/4885CTDSP1 2524/4885

“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.