SCHEMBL10035005

SCHEMBL10035005

COC(=O)c1ccc(-c2ccccc2C(F)(F)F)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.52
PDK2 Q15119 3/20 0.52
AKR1C3 P42330 1/20 0.51
AKR1C2 P52895 1/20 0.51
MAPT P10636 2/20 0.48
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
PDE4D Q08499 1/20 0.47
TRPA1 O75762 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
HCRTR1 O43613 1/20 0.45
PDE7A Q13946 1/20 0.45
PDE3A Q14432 1/20 0.45
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL5786405 0.88 AKR1C3 (0.55) AKR1C3AKR1C2ROCK2ROCK1PDE4D
SCHEMBL14925355 0.88 AKR1C3 (0.52) PDK2AKR1C3AKR1C2MAPTROCK2
SCHEMBL536170 0.87 TRPA1 (0.48) NOTUMPDK2AKR1C3AKR1C2MAPT
SCHEMBL536257 0.86 NOTUM (0.55) NOTUMPDK2AKR1C3AKR1C2MAPT
SCHEMBL2776641 0.85 NOTUM (0.54) NOTUMPDK2AKR1C3AKR1C2MAPT
SCHEMBL10035087 0.84 PTGDR2 (0.47) NOTUMPDK2MAPTL3MBTL1KDM4E
SCHEMBL6535961 0.84 MAPT (0.57) PDK2AKR1C3AKR1C2MAPTL3MBTL1
SCHEMBL536555 0.84 NOTUM (0.52) NOTUMPDK2AKR1C3AKR1C2ALDH1A1
SCHEMBL31238850 0.82 MAPT (0.66) MAPTKMT2AKDM4ELMNAALDH1A1
SCHEMBL16761889 0.81 NOTUM (0.67) NOTUMPDK2MAPTL3MBTL1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2594554-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-05-22 EP disclosed
US-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-05-09 US disclosed
WO-2012008435-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 大日本住友製薬株式会社 (JP) 2012-01-19 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 (1 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-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF MC2R, NR3C2, REN NOTUM 1253/4885PDK2 2772/4885AKR1C3 99/4885

“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.