SCHEMBL25344756

SCHEMBL25344756

COc1cc(C(F)(F)F)c(C2CCCN(C(=O)OC(C)(C)C)C2)cn1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 9/20 0.54
PIK3CA P42336 2/20 0.45
HPGDS O60760 1/20 0.44
ALOX5AP P20292 1/20 0.44
FEN1 P39748 1/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
SCN9A Q15858 1/20 0.42
PIK3CD O00329 1/20 0.42
PDE4B Q07343 1/20 0.41
RIPK1 Q13546 1/20 0.41

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
SCHEMBL28451145 0.80 ALOX5AP (0.50) PROKR1HPGDSALOX5APFEN1JAK2
SCHEMBL27211270 0.78 HPGDS (0.48) PROKR1PIK3CAHPGDSALOX5APFEN1
SCHEMBL30473720 0.78 HPGDS (0.48) PROKR1PIK3CAHPGDSALOX5APFEN1
SCHEMBL25346096 0.78 HPGDS (0.48) PROKR1PIK3CAHPGDSALOX5APFEN1
SCHEMBL25343585 0.78 PDE4B (0.52) PROKR1PIK3CAHPGDSALOX5APFEN1
SCHEMBL25345087 0.78 PDE4B (0.52) PROKR1PIK3CAHPGDSALOX5APFEN1
SCHEMBL30473677 0.78 PDE4B (0.52) PROKR1PIK3CAHPGDSALOX5APFEN1
SCHEMBL31654207 0.77 PIK3CA (0.44) PIK3CAALOX5APFEN1JAK2GPR119
SCHEMBL25888714 0.77 PIK3CA (0.44) PIK3CAALOX5APFEN1JAK2GPR119
SCHEMBL24662171 0.77 PRMT5 (0.47) PROKR1PIK3CAHPGDSALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11976057-B2 MrgX2 antagonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-05-07 US disclosed
EP-4225746-A1 MRGX2 ANTAGONISTS GlaxoSmithKline Intellectual Property Development Limited (GB) 2023-08-16 EP disclosed
CN-116390917-A MRGX2 antagonists 葛兰素史密斯克莱知识产权发展有限公司 2023-07-04 CN disclosed
WO-2022073904-A1 MRGX2 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-14 WO disclosed
US-20220112174-A1 MRGX2 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-14 US 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-11976057-B2 MrgX2 antagonists MRGPRX2, MRGPRX1, MRGPRX4 PROKR1 376/4885PIK3CA 4494/4885HPGDS 208/4885
US-20220112174-A1 MRGX2 ANTAGONISTS MRGPRX2, MRGPRX1, MRGPRX4 PROKR1 376/4885PIK3CA 4494/4885HPGDS 208/4885

“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.