SCHEMBL22975155

SCHEMBL22975155

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 2/20 0.38
CYP4F2 P78329 3/20 0.37
CYP4A11 Q02928 3/20 0.37
MAPT P10636 3/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 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
SCHEMBL23009915 1.00 CPB2 (0.38) CPB2CYP4F2CYP4A11MAPTCRHBP
SCHEMBL21244382 0.85 CYP1A2 (0.40) CPB2MAPTCRHBPCRHR2L3MBTL1
SCHEMBL21244518 0.84 KMT2A (0.40) CPB2CYP4F2CYP4A11MAPTCRHBP
SCHEMBL26938914 0.84 KISS1R (0.38) CPB2MAPTCRHBPCRHR2L3MBTL1
SCHEMBL22975211 0.84 L3MBTL1 (0.41) CPB2MAPTCRHBPCRHR2L3MBTL1
SCHEMBL21288571 0.83 CPB2 (0.38) CPB2MAPTCRHBPCRHR2L3MBTL1
SCHEMBL22975200 0.81 CHRM1 (0.36) CPB2MAPK1KMT2ATDP1CA2
SCHEMBL26938920 0.81 KISS1R (0.31)
SCHEMBL22975199 0.81 CHRM1 (0.36) CPB2MAPK1KMT2ATDP1CA2
SCHEMBL26938919 0.81 KISS1R (0.31)

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 13 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-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
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
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 CPB2 4155/4885CYP4F2 2773/4885CYP4A11 1318/4885
US-11584761-B2 Process of making CFTR modulators CFTR, SLC26A4, TMEM109 CPB2 4155/4885CYP4F2 2773/4885CYP4A11 1318/4885
US-20210047345-A1 PROCESS OF MAKING CFTR MODULATORS CFTR, SLC26A4, TMEM109 CPB2 4155/4885CYP4F2 2773/4885CYP4A11 1318/4885
US-12122788-B2 Process of making CFTR modulators CFTR, SLC26A4, TMEM109 CPB2 4155/4885CYP4F2 2773/4885CYP4A11 1318/4885

“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.