SCHEMBL18525797

SCHEMBL18525797

CNC(=O)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.59
TAS1R1 Q7RTX1 1/20 0.59
TAS1R2 Q8TE23 1/20 0.59
KAT6A Q92794 3/20 0.58
GPR139 Q6DWJ6 1/20 0.54
ABL1 P00519 1/20 0.54
BCR P11274 1/20 0.54
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 1/20 0.53
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
SCN9A Q15858 3/20 0.51
DDR1 Q08345 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
NAMPT P43490 1/20 0.50
PCSK9 Q8NBP7 1/20 0.48
PTPN1 P18031 1/20 0.48
RAF1 P04049 1/20 0.48

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
SCHEMBL30870756 1.00 TAS1R3 (0.59) TAS1R3TAS1R1TAS1R2KAT6AGPR139
SCHEMBL14881985 0.85 HDAC8 (0.64) TAS1R3TAS1R1TAS1R2KAT6AGPR139
SCHEMBL30184372 0.84 TAS1R3 (0.56) TAS1R3TAS1R1TAS1R2KAT6AGPR139
SCHEMBL13753373 0.84 NPSR1 (0.64) TAS1R3TAS1R1TAS1R2KAT6AGPR139
SCHEMBL13701706 0.84 TAS1R3 (0.56) TAS1R3TAS1R1TAS1R2KAT6AGPR139
SCHEMBL31180472 0.84 KAT6A (0.58) TAS1R3TAS1R1TAS1R2KAT6AGPR139
SCHEMBL27971451 0.84 KAT6A (0.58) TAS1R3TAS1R1TAS1R2KAT6AGPR139
SCHEMBL679553 0.84 KAT6A (0.58) TAS1R3TAS1R1TAS1R2KAT6AGPR139
SCHEMBL7055657 0.83 MRGPRX4 (0.63) TAS1R3TAS1R1TAS1R2KAT6AGPR139
SCHEMBL13702288 0.83 GPR139 (0.60) TAS1R3TAS1R1TAS1R2KAT6AGPR139

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11576924-B2 Compounds for the prevention and treatment of diseases and the use thereof GALECTIN SCIENCES, LLC (US) 2023-02-14 US disclosed
EP-3487840-B1 CYCLOHEXYL BENZAMIDE COMPOUNDS LILLY CO ELI (US) 2021-08-11 EP disclosed
US-9783522-B2 2-amino-pyridine and 2-amino-pyrimidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-10-10 US disclosed
CN-106478497-A Aryl amine derivatives as TTX S blocker 拉夸里亚创药株式会社 2017-03-08 CN disclosed
US-20170044133-A1 NOVEL 2-AMINO-PYRIDINE AND 2-AMINO-PYRIMIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 US disclosed
CN-103249721-B Arylamine Derivatives as TTX-S Blockers 拉夸里亚创药株式会社 2016-10-12 CN disclosed
CN-104822666-B Terazololine-one compound and application thereof 住友化学株式会社 2016-09-21 CN disclosed
CN-104822666-A Tetrazolinone compound and use thereof SUMITOMO CHEMICAL CO 2015-08-05 CN 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-20170044133-A1 NOVEL 2-AMINO-PYRIDINE AND 2-AMINO-PYRIMIDINE DERIVATIVES AND MEDICINAL USE THEREOF ENPP2, ATXN2, ATXN2L TAS1R3 3704/4885TAS1R1 3571/4885TAS1R2 3065/4885
US-11576924-B2 Compounds for the prevention and treatment of diseases and the use thereof LGALS1, LGALS3BP, LGALS2 TAS1R3 1535/4885TAS1R1 1645/4885TAS1R2 1880/4885

“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.