SCHEMBL10035258

SCHEMBL10035258

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.46
NOTUM Q6P988 1/20 0.46
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
PDE7A Q13946 1/20 0.41
PDE3A Q14432 1/20 0.41
TSHR P16473 3/20 0.40
CYP1A2 P05177 2/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TRPA1 O75762 1/20 0.39
RBP4 P02753 1/20 0.39
KIF11 P52732 2/20 0.39
P4HB P07237 1/20 0.38
AKR1C3 P42330 1/20 0.38

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
SCHEMBL536245 0.89 TRPA1 (0.49) PDK2NOTUMMAOAMAOBPDE7A
SCHEMBL10035261 0.88 MRGPRX4 (0.44) MAOAMAOBTSHRCYP1A2MRGPRX4
SCHEMBL10035257 0.84 NOTUM (0.52) PDK2NOTUMMAOAMAOBMRGPRX4
SCHEMBL2417490 0.83 KDM4E (0.43) PDK2LMNANPC1MAPTHTT
SCHEMBL10034892 0.82 TSHR (0.43) PDK2NOTUMMAOAMAOBPDE7A
SCHEMBL5937417 0.80 EGFR (0.44) PDK2NOTUMMAOBMRGPRX4AKR1C3
SCHEMBL536257 0.80 NOTUM (0.55) PDK2NOTUMTSHRLMNAMAPT
SCHEMBL536675 0.79 NOTUM (0.51) PDK2NOTUMMAOAMAOBTSHR
SCHEMBL10035050 0.79 NR3C2 (0.48) SMN1; SMN2KIF11
SCHEMBL2776641 0.79 NOTUM (0.54) PDK2NOTUMCYP1A2LMNAMAPT

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 PDK2 2772/4885NOTUM 1253/4885MAOA 1420/4885

“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.