SCHEMBL4827015

SCHEMBL4827015

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.46
PLK1 P53350 4/20 0.46
TRPV1 Q8NER1 2/20 0.45
KCNK2 O95069 2/20 0.44
KCNK10 P57789 2/20 0.44
IGF2BP2 Q9Y6M1 1/20 0.43
KMT2A Q03164 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.39
MITF O75030 1/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
PPARA Q07869 1/20 0.39
EPHX2 P34913 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL4827028 1.00 CTDSP1 (0.46) CTDSP1PLK1TRPV1KCNK2KCNK10
SCHEMBL4826497 0.96 CTDSP1 (0.50) CTDSP1PLK1KCNK2KCNK10KMT2A
SCHEMBL4826504 0.96 CTDSP1 (0.50) CTDSP1PLK1KCNK2KCNK10KMT2A
SCHEMBL4826970 0.95 PLK1 (0.46) CTDSP1PLK1TRPV1KCNK2KCNK10
SCHEMBL4826962 0.95 PLK1 (0.46) CTDSP1PLK1TRPV1KCNK2KCNK10
SCHEMBL4829030 0.92 CTDSP1 (0.46) CTDSP1PLK1TRPV1KCNK2KCNK10
SCHEMBL4829036 0.92 CTDSP1 (0.46) CTDSP1PLK1TRPV1KCNK2KCNK10
SCHEMBL4831282 0.92 IGF2BP2 (0.55) CTDSP1PLK1KCNK2KCNK10IGF2BP2
SCHEMBL4831288 0.92 IGF2BP2 (0.55) CTDSP1PLK1KCNK2KCNK10IGF2BP2
SCHEMBL4829109 0.91 CTDSP1 (0.46) CTDSP1PLK1KCNK2KCNK10KMT2A

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 CTDSP1 2943/4885PLK1 3639/4885TRPV1 4207/4885
US-20080293790-A1 SUBSTITUTED ARYL OXIMES HCCS, AOX1, TET2 CTDSP1 2524/4885PLK1 4185/4885TRPV1 4752/4885

“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.