SCHEMBL9890804

SCHEMBL9890804

NC(=O)C(O)c1cc(F)ccc1-c1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTPN1 P18031 2/20 0.37
PTPRC P08575 1/20 0.37
DHODH Q02127 3/20 0.37
KCNN4 O15554 3/20 0.36
SLC9A1 P19634 1/20 0.36
GRM2 Q14416 1/20 0.36
EPHX1 P07099 1/20 0.35

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
SCHEMBL2393152 0.85 CES2 (0.46) CES2CES1ALDH1A1MAPTL3MBTL1
SCHEMBL9890808 0.85 PTPN1 (0.43) CES2CES1PTPN1KCNN4SLC9A1
SCHEMBL2393640 0.83 MAPT (0.40) CES2CES1MAPTKCNN4GRM2
SCHEMBL9890695 0.81 CHRM3 (0.41) CES2CES1MAPTDHODH
SCHEMBL2395609 0.79 PARP1 (0.41) CES2CES1KCNN4SLC9A1EPHX1
SCHEMBL2390308 0.77 OPRL1 (0.38) CES2CES1KCNN4GRM2
SCHEMBL29658770 0.75 CES2 (0.64) CES2CES1ALDH1A1KCNN4
SCHEMBL5348191 0.75 CES2 (0.64) CES2CES1ALDH1A1KCNN4
SCHEMBL2391794 0.75 APP (0.50) CES2CES1GRM2
SCHEMBL2395624 0.75 S100A4 (0.40) CES2CES1ALDH1A1GRM2

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 CES2 1468/4885CES1 610/4885ALDH1A1 576/4885
US-20110224304-A1 BIPHENYLACETAMIDE DERIVATIVE HRH3, KCNH3, BRPF3 CES2 1468/4885CES1 610/4885ALDH1A1 576/4885

“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.