SCHEMBL29862346

SCHEMBL29862346

CC(C)(C)OC(=O)N1C[C@@H](CCC(N[S+]([O-])C(C)(C)C)c2cc(Cl)ccn2)CC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.34
MDM2 Q00987 1/20 0.34
ERBB2 P04626 1/20 0.34
EPHA2 P29317 1/20 0.34
KDR P35968 1/20 0.34
EPHB4 P54760 1/20 0.34
ANO1 Q5XXA6 2/20 0.32
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
KIT P10721 2/20 0.31
ALDH1A1 P00352 1/20 0.31
FNTA P49354 2/20 0.30
FNTB P49356 2/20 0.30
FAAH O00519 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
SCHEMBL23006160 1.00 TP53 (0.34) TP53MDM2ERBB2EPHA2KDR
SCHEMBL23005999 0.90 AAK1 (0.31) FAAH
SCHEMBL29862239 0.90 AAK1 (0.31) FAAH
SCHEMBL23005993 0.90 AAK1 (0.31) FAAH
SCHEMBL23005914 0.90 USP30 (0.31) FAAH
SCHEMBL22982685 0.90 TP53 (0.31) TP53MDM2
SCHEMBL23006297 0.88 SMN1; SMN2 (0.33) TP53MDM2ERBB2EPHA2KDR
SCHEMBL28771552 0.88 ADORA2B (0.36)
SCHEMBL29862207 0.88 ADORA2B (0.36)
SCHEMBL28771555 0.88 ADORA2B (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220313698-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2022-10-06 US disclosed
EP-4013759-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2022-06-22 EP 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-20220313698-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B TP53 3907/4885MDM2 4722/4885ERBB2 4074/4885

“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.