SCHEMBL10034892

SCHEMBL10034892

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
GLA P06280 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
CYP1A2 P05177 1/20 0.40
TOP2A P11388 1/20 0.39
TRPA1 O75762 2/20 0.39
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
PDE7A Q13946 1/20 0.38
PDE3A Q14432 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMO O15229 1/20 0.37
PTGS1 P23219 1/20 0.36
IDO1 P14902 2/20 0.36
NOTUM Q6P988 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL10034890 0.85 GLA (0.44) TSHRGLAPOLBGAAMAOB
SCHEMBL10035261 0.84 MRGPRX4 (0.44) TSHRAKR1C3AKR1C2CYP1A2TRPA1
SCHEMBL10035258 0.82 PDK2 (0.46) TSHRAKR1C3AKR1C2CYP1A2TRPA1
SCHEMBL14925394 0.81 TSHR (0.53) TSHRGLAPOLBGAAAKR1C3
SCHEMBL10034891 0.81 MEN1 (0.43) TSHRAKR1C3AKR1C2CYP1A2ALDH1A1
SCHEMBL10035029 0.81 GAA (0.40) TSHRGLAPOLBGAACYP1A2
SCHEMBL2317994 0.80 NR1H2 (0.46) TSHRGLAPOLBGAAMAOB
SCHEMBL14744118 0.78 TSHR (0.53) TSHRGLAPOLBGAAAKR1C3
SCHEMBL14446886 0.76 MAOB (0.60) GAAMAOBMAOAALDH1A1IDO1
SCHEMBL27779050 0.74 PLA2G7 (0.48) TSHRPOLBCYP1A2MAOBALDH1A1

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 TSHR 90/4885GLA 3059/4885POLB 4291/4885

“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.