SCHEMBL24326451

SCHEMBL24326451

CC(C)(C)OC(=O)CN(Cc1cccc(C(C)(C)C)c1)C(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.41
▸ PTGES O14684 3/20 0.37
▸ CTSL P07711 1/20 0.36
▸ CTSB P07858 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ PTGER2 P43116 2/20 0.36
▸ CETP P11597 3/20 0.35
▸ RIPK1 Q13546 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ TRPM8 Q7Z2W7 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ CASR P41180 1/20 0.34

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
SCHEMBL29570913 1.00 ACHE (0.41) ACHEPTGESCTSLCTSBCTSS
SCHEMBL15876107 0.86 HSD11B1 (0.37) PTGESCTSLCTSBCTSSRIPK1
SCHEMBL24326452 0.85 ACHE (0.44) ACHEPTGESPTGER2RIPK1TRPM8
SCHEMBL24326324 0.84 ACHE (0.43) ACHEPTGESPTGER2RIPK1HDAC6
SCHEMBL3861529 0.82 CYP1A2 (0.44) ACHE
SCHEMBL15876209 0.80 SLC7A5 (0.37) PTGESTRPM8CASR
SCHEMBL16355715 0.80 SLC7A5 (0.37) PTGESTRPM8CASR
SCHEMBL15876207 0.80 SLC7A5 (0.37) PTGESTRPM8CASR
SCHEMBL15876197 0.77 CA12 (0.43) PTGESCTSLCTSBCTSSCASR
SCHEMBL15876003 0.76 DPP4 (0.36) —

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
US-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2024-01-18 — — US disclosed
US-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2024-01-18 — — US disclosed
WO-2022076625-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — 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-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B ACHE 4789/4885PTGES 1178/4885CTSL 3165/4885

“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.

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