SCHEMBL10035261

SCHEMBL10035261

CC(=O)OCc1cc(C(=O)O)ccc1-c1ccccc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 2/20 0.42
KMO O15229 2/20 0.41
EPHX2 P34913 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
HPGD P15428 1/20 0.39
SRD5A2 P31213 1/20 0.39
TTR P02766 1/20 0.39
TRPA1 O75762 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
SCHEMBL10035258 0.88 PDK2 (0.46) MRGPRX4MAOAMAOBAKR1C3AKR1C2
SCHEMBL407578 0.88 TRPA1 (0.50) MRGPRX4RXRARXRBRXRGMAOA
SCHEMBL10034892 0.84 TSHR (0.43) MAOAMAOBAKR1C3AKR1C2KMO
SCHEMBL10035260 0.82 EPHX2 (0.44) MRGPRX4RXRARXRBRXRGAKR1C3
SCHEMBL10034891 0.80 MEN1 (0.43) AKR1C3AKR1C2ALDH1A1CYP1A2TSHR
SCHEMBL10035050 0.79 NR3C2 (0.48)
SCHEMBL10035086 0.79 ALDH1A1 (0.54) MRGPRX4RXRARXRBRXRGAKR1C3
SCHEMBL272324 0.78 PTPRC (0.54) MRGPRX4RXRARXRBRXRGAKR1C3
SCHEMBL1725696 0.78 S1PR1 (0.48) MRGPRX4RXRARXRBRXRGAKR1C3
SCHEMBL14925362 0.77 MAOA (0.49) MAOAMAOBAKR1C3AKR1C2ALDH1A1

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 MRGPRX4 362/4885RXRA 824/4885RXRB 849/4885

“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.