SCHEMBL9890809

SCHEMBL9890809

NC(=O)C(O)c1ccccc1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORB Q92753 4/20 0.50
RORC P51449 3/20 0.50
KIF11 P52732 1/20 0.47
SLC9A1 P19634 2/20 0.46
AKR1C3 P42330 2/20 0.44
AKR1C2 P52895 2/20 0.44
PTPN5 P54829 2/20 0.44
MAOB P27338 1/20 0.44
PARP1 P09874 2/20 0.43
ALDH1A1 P00352 1/20 0.43
EPHX1 P07099 2/20 0.43
CES2 O00748 1/20 0.43
CNR2 P34972 1/20 0.42

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
SCHEMBL9890705 0.83 AKR1C3 (0.47) RORBRORCKIF11AKR1C3AKR1C2
SCHEMBL2393221 0.81 SLC9A1 (0.42) SLC9A1MAOBPARP1EPHX1CES2
SCHEMBL9890805 0.80 ADORA2A (0.42) EPHX1
SCHEMBL30272163 0.80 RORB (0.66) RORBRORCKIF11SLC9A1MAOB
SCHEMBL4683411 0.80 RORB (0.66) RORBRORCKIF11SLC9A1MAOB
SCHEMBL2395269 0.78 BCAT2 (0.55) ALDH1A1
SCHEMBL2395264 0.78 BCAT2 (0.55) ALDH1A1
SCHEMBL2392699 0.78 BCAT2 (0.55) ALDH1A1
SCHEMBL12202853 0.78 CNR2 (0.43) SLC9A1AKR1C3AKR1C2PARP1ALDH1A1
SCHEMBL9890803 0.78 CHRM1 (0.46) RORBRORCSLC9A1MAOBPARP1

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
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
WO-2010055911-A1 BIPHENYLACETAMIDE DERIVATIVE 大日本住友製薬株式会社 (JP) 2010-05-20 WO 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 RORB 2014/4885RORC 1513/4885KIF11 1483/4885
US-20110224304-A1 BIPHENYLACETAMIDE DERIVATIVE HRH3, KCNH3, BRPF3 RORB 2014/4885RORC 1513/4885KIF11 1483/4885

“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.