SCHEMBL21452652

SCHEMBL21452652

CC(=O)C[C@H](C)CNC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
PCSK9 Q8NBP7 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 1/20 0.41
CYP2D6 P10635 1/20 0.41
CTSK P43235 5/20 0.40
CTSS P25774 3/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
SYK P43405 1/20 0.38
SERPINE1 P05121 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
AAK1 Q2M2I8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL21452654 1.00 MEN1 (0.44) MEN1GAAKMT2APCSK9TDP1
SCHEMBL7759432 0.88 MEN1 (0.42) MEN1GAAKMT2APCSK9TDP1
SCHEMBL7758385 0.88 MEN1 (0.42) MEN1GAAKMT2APCSK9TDP1
SCHEMBL1105702 0.87 PCSK9 (0.50) MEN1GAAKMT2APCSK9TDP1
SCHEMBL6945578 0.86 MEN1 (0.47) MEN1GAAKMT2APCSK9TDP1
SCHEMBL1262597 0.86 MEN1 (0.47) MEN1GAAKMT2APCSK9TDP1
SCHEMBL4740871 0.86 MEN1 (0.47) MEN1GAAKMT2APCSK9TDP1
SCHEMBL24363894 0.84 MEN1 (0.42) MEN1GAAKMT2APCSK9TDP1
SCHEMBL3423364 0.84 CYP2D6 (0.43) MEN1GAAKMT2APCSK9TDP1
SCHEMBL19765482 0.83 MEN1 (0.45) MEN1GAAKMT2APCSK9TDP1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250171469-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2025-05-29 US disclosed
US-20230312616-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2023-10-05 US disclosed
US-20230312616-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2023-10-05 US disclosed
US-20230312616-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2023-10-05 US disclosed
US-11414439-B2 Modulators of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-08-16 US disclosed
US-20210139514-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2021-05-13 US disclosed
US-20210032272-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR VERTEX PHARMACEUTICALS INCORPORATED 2021-02-04 US disclosed
WO-2019200246-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR ABELA ALEXANDER RUSSELL (US) 2019-10-17 WO disclosed
WO-2019195739-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR ABELA ALEXANDER RUSSELL (US) 2019-10-10 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 (5 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-11414439-B2 Modulators of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulator CFTR, SCNN1G, CLCN2 MEN1 4388/4885GAA 833/4885KMT2A 4639/4885
US-20230312616-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B MEN1 4687/4885GAA 1503/4885KMT2A 4654/4885
US-20210032272-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR CFTR, SCNN1G, CLCN2 MEN1 4388/4885GAA 833/4885KMT2A 4639/4885
US-20210139514-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B MEN1 4687/4885GAA 1503/4885KMT2A 4654/4885
US-20250171469-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B MEN1 4687/4885GAA 1503/4885KMT2A 4654/4885

“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.