SCHEMBL9890802

SCHEMBL9890802

NC(=O)C(O)c1ccccc1-c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
PTGS2 P35354 2/20 0.44
PTGS1 P23219 2/20 0.44
GRM2 Q14416 1/20 0.41
BCAT2 O15382 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SQOR Q9Y6N5 1/20 0.38
KCNN4 O15554 3/20 0.38
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
SLC9A1 P19634 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
EPHX1 P07099 1/20 0.37
SCN9A Q15858 1/20 0.37

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
SCHEMBL2395269 0.86 BCAT2 (0.55) BCAT2ALDH1A1CA12CA1CA2
SCHEMBL2395264 0.86 BCAT2 (0.55) BCAT2ALDH1A1CA12CA1CA2
SCHEMBL2392699 0.86 BCAT2 (0.55) BCAT2ALDH1A1CA12CA1CA2
SCHEMBL2393221 0.83 SLC9A1 (0.42) KCNN4SLC9A1EPHX1
SCHEMBL2393640 0.81 MAPT (0.40) PTGS2PTGS1GRM2BCAT2MAPT
SCHEMBL2395250 0.81 ALOX5AP (0.39) BCAT2ALDH1A1MAPTL3MBTL1
SCHEMBL2393859 0.81 BCAT2 (0.42) PTGS2PTGS1GRM2BCAT2MAPT
SCHEMBL9890687 0.80 SLC6A4 (0.55) SLC6A4SLC6A3PTGS2PTGS1ALDH1A1
SCHEMBL1443967 0.80 HDAC4 (0.41) SLC6A4SLC6A3PTGS2PTGS1GRM2
SCHEMBL9890808 0.80 PTPN1 (0.43) KCNN4SLC9A1

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 SLC6A4 932/4885SLC6A3 724/4885PTGS2 2051/4885
US-20110224304-A1 BIPHENYLACETAMIDE DERIVATIVE HRH3, KCNH3, BRPF3 SLC6A4 932/4885SLC6A3 724/4885PTGS2 2051/4885

“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.