SCHEMBL22975211

SCHEMBL22975211

CCOC(=O)CCC(CC(C)(C)[N+](=O)[O-])C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
KMT2A Q03164 2/20 0.39
POLB P06746 2/20 0.39
CYP1A2 P05177 1/20 0.34
CPB2 Q96IY4 2/20 0.34
MAPT P10636 4/20 0.33
KDM4E B2RXH2 3/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 2/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
ALDH1A1 P00352 3/20 0.31
TRPA1 O75762 1/20 0.31
HPGD P15428 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL21244382 0.93 CYP1A2 (0.40) L3MBTL1KMT2APOLBCYP1A2CPB2
SCHEMBL21244518 0.92 KMT2A (0.40) L3MBTL1KMT2APOLBCYP1A2CPB2
SCHEMBL26939063 0.90 L3MBTL1 (0.37) L3MBTL1KMT2APOLBCYP1A2MAPT
SCHEMBL26939061 0.90 L3MBTL1 (0.37) L3MBTL1KMT2APOLBCYP1A2MAPT
SCHEMBL26939059 0.90 L3MBTL1 (0.37) L3MBTL1KMT2APOLBCYP1A2MAPT
SCHEMBL23009946 0.87 KMT2A (0.41) L3MBTL1KMT2APOLBCYP1A2CPB2
SCHEMBL22975155 0.84 CPB2 (0.38) L3MBTL1KMT2ACYP1A2CPB2MAPT
SCHEMBL23009915 0.84 CPB2 (0.38) L3MBTL1KMT2ACYP1A2CPB2MAPT
SCHEMBL26938914 0.80 KISS1R (0.38) L3MBTL1KMT2ACPB2MAPTGAA
SCHEMBL21288571 0.79 CPB2 (0.38) L3MBTL1CPB2MAPTCRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12122788-B2 Process of making CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-10-22 US disclosed
EP-4013741-B1 PROCESS OF MAKING CFTR MODULATORS VERTEX PHARMA (US) 2024-04-17 EP disclosed
CN-114555556-B Process for preparing CFTR modulators 弗特克斯药品有限公司 2024-03-29 CN disclosed
US-20230399343-A1 PROCESS OF MAKING CFTR MODULATORS VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-12-14 US disclosed
US-11584761-B2 Process of making CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-21 US disclosed
EP-4013741-A1 PROCESS OF MAKING CFTR MODULATORS Vertex Pharmaceuticals Incorporated (US) 2022-06-22 EP disclosed
CN-114555556-A Methods of making CFTR modulators 弗特克斯药品有限公司 2022-05-27 CN disclosed
WO-2021030554-A1 PROCESS OF MAKING CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-18 WO disclosed
WO-2021030554-A1 PROCESS OF MAKING CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-18 WO disclosed
US-20210047345-A1 PROCESS OF MAKING CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED 2021-02-18 US 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 (4 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-20230399343-A1 PROCESS OF MAKING CFTR MODULATORS CFTR, SLC26A4, TMEM109 L3MBTL1 3845/4885KMT2A 4522/4885POLB 1497/4885
US-11584761-B2 Process of making CFTR modulators CFTR, SLC26A4, TMEM109 L3MBTL1 3845/4885KMT2A 4522/4885POLB 1497/4885
US-20210047345-A1 PROCESS OF MAKING CFTR MODULATORS CFTR, SLC26A4, TMEM109 L3MBTL1 3845/4885KMT2A 4522/4885POLB 1497/4885
US-12122788-B2 Process of making CFTR modulators CFTR, SLC26A4, TMEM109 L3MBTL1 3845/4885KMT2A 4522/4885POLB 1497/4885

“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.