SCHEMBL27211388

SCHEMBL27211388

COc1ncc(Br)cc1C(O)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 1/20 0.36
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
MAP4K1 Q92918 1/20 0.31
MAPT P10636 1/20 0.30
GSK3B P49841 1/20 0.30
AAK1 Q2M2I8 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL29457357 1.00 ABHD6 (0.36) ABHD6PIK3R1PIK3CAMTORMAP4K1
SCHEMBL25342794 1.00 ABHD6 (0.36) ABHD6PIK3R1PIK3CAMTORMAP4K1
SCHEMBL9948731 0.78 PIK3CA (0.33) PIK3CAMTORMAPT
SCHEMBL25321392 0.77 ABHD6 (0.36) ABHD6
SCHEMBL30507167 0.77 ABHD6 (0.36) ABHD6
SCHEMBL29527168 0.76 GABRA1 (0.41) PIK3R1PIK3CAMTORMAPT
SCHEMBL28649665 0.76 GABRA1 (0.41) PIK3R1PIK3CAMTORMAPT
SCHEMBL31451331 0.76 TSHR (0.34) PIK3CAMTORMAPTAAK1KCNH2
SCHEMBL24529352 0.76 CNR2 (0.31) MAP4K1
SCHEMBL25344562 0.76 APLNR (0.34) MAP4K1

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 2 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
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 ABHD6 4324/4885PIK3R1 3410/4885PIK3CA 4494/4885
US-20220112174-A1 MRGX2 ANTAGONISTS MRGPRX2, MRGPRX1, MRGPRX4 ABHD6 4324/4885PIK3R1 3410/4885PIK3CA 4494/4885

“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.