SCHEMBL9890696

SCHEMBL9890696

COC(=O)C(O)c1cc(F)ccc1-c1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 1/20 0.41
CSNK1D P48730 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
NTRK2 Q16620 1/20 0.41
AURKB Q96GD4 1/20 0.41
CHRM3 P20309 9/20 0.41
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39

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
SCHEMBL9890694 0.90 SLC6A4 (0.42) CHRM3HPGDNR3C2PSEN1PSEN2
SCHEMBL9890690 0.89 CHRM3 (0.43) RPS6KB1CSNK1DGSK3AGSK3BDYRK1A
SCHEMBL9890686 0.89 TUBB4A (0.44) RPS6KB1CSNK1DGSK3AGSK3BDYRK1A
SCHEMBL9890697 0.82 PSEN1 (0.44) CHRM3NR3C2PSEN1PSEN2APH1B
SCHEMBL2395609 0.81 PARP1 (0.41) RPS6KB1CSNK1DGSK3AGSK3BDYRK1A
SCHEMBL9890695 0.81 CHRM3 (0.41) CHRM3TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9890689 0.79 CHRM3 (0.42) CHRM3NR3C2
SCHEMBL23972473 0.78 CES2 (0.49) KDM4EHPGDHSD17B10NR4A1NR4A2
SCHEMBL9890687 0.75 SLC6A4 (0.55) CHRM3KDM4EHPGDTUBB4ATUBB
SCHEMBL6400373 0.74 CES2 (0.58) NR3C2PSEN1PSEN2APH1BNCSTN

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-20120142771-A1 BIPHENYLACETAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-06-07 US disclosed
US-20120142771-A1 BIPHENYLACETAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-06-07 US disclosed
EP-2374790-A1 BIPHENYLACETAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2011-10-12 EP disclosed
US-20110224304-A1 BIPHENYLACETAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-15 US disclosed
US-20110224304-A1 BIPHENYLACETAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-15 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-20120142771-A1 BIPHENYLACETAMIDE DERIVATIVE HRH3, KCNH3, BRPF3 RPS6KB1 2105/4885CSNK1D 3595/4885GSK3A 2620/4885
US-20110224304-A1 BIPHENYLACETAMIDE DERIVATIVE HRH3, KCNH3, BRPF3 RPS6KB1 2105/4885CSNK1D 3595/4885GSK3A 2620/4885

“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.