SCHEMBL24326533

SCHEMBL24326533

CC(C)CC1CCC(=O)N(C(=O)OC(C)(C)C)C1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 2/20 0.38
GPR119 Q8TDV5 3/20 0.35
KLK7 P49862 2/20 0.35
KLK5 Q9Y337 1/20 0.35
MAPK1 P28482 1/20 0.33
PDK4 Q16654 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
WNT3 P56703 1/20 0.32
SFRP1 Q8N474 1/20 0.32
TACR1 P25103 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32

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
SCHEMBL31526563 0.91 SMYD2 (0.39) SMYD2GPR119KLK7KLK5MAPK1
SCHEMBL27006658 0.90 SMYD2 (0.38) SMYD2
SCHEMBL24325181 0.88 SMYD2 (0.38) SMYD2GPR119KLK7KLK5MAPK1
SCHEMBL16584506 0.83 SMYD2 (0.38) SMYD2GPR119KLK7KLK5PDK4
SCHEMBL1150304 0.83 SMYD2 (0.38) SMYD2GPR119KLK7KLK5PDK4
SCHEMBL1150302 0.83 SMYD2 (0.38) SMYD2GPR119KLK7KLK5PDK4
SCHEMBL31526769 0.83 KDM4E (0.35) SMYD2GPR119KLK7KLK5KDM4E
SCHEMBL31526833 0.82 SMYD2 (0.40) SMYD2GPR119KLK7KLK5MAPK1
SCHEMBL31526699 0.82 SMYD2 (0.36) SMYD2GPR119KLK7KLK5KDM4E
SCHEMBL27013002 0.82 HCRTR2 (0.43) SMYD2GPR119KLK7

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-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
EP-4225447-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
WO-2022076625-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO 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 SMYD2 2931/4885GPR119 788/4885KLK7 4311/4885

“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.