SCHEMBL24326414

SCHEMBL24326414

CC(C)CC1CCCC(=O)NC1CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 10/20 0.41
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
FFAR3 O14843 1/20 0.30
MMP1 P03956 1/20 0.30
MMP9 P14780 1/20 0.30
ADAM17 P78536 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 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
SCHEMBL27013031 0.77 CTSD (0.36) CTSDAPOBEC3AAPOBEC3GLMNACYP3A4
SCHEMBL24326419 0.76 CTSD (0.34) CTSD
SCHEMBL27013108 0.73 CTSD (0.38) CTSDLMNACYP3A4GAACYP2C9
SCHEMBL5963316 0.73 CTSD (0.38) CTSDLMNACYP3A4GAACYP2C9
SCHEMBL24325946 0.72 ALDH1A1 (0.36) CTSDAPOBEC3AAPOBEC3GLMNAMEN1
SCHEMBL24326475 0.70 CTSD (0.51) CTSDLMNACYP3A4GAACYP2C9
SCHEMBL29060359 0.70 CTSD (0.51) CTSDLMNACYP3A4GAACYP2C9
SCHEMBL24325178 0.70 CTSD (0.51) CTSDLMNACYP3A4GAACYP2C9
SCHEMBL19423581 0.69 CTSD (0.30) CTSD
SCHEMBL6922612 0.68 CTSD (0.40) CTSDLMNACYP3A4GAACYP2C9

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 CTSD 2512/4885APOBEC3A 4842/4885APOBEC3G 4807/4885

“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.