SCHEMBL22975210

SCHEMBL22975210

CC1(C)OC(=O)C(CCCNC(=O)O)C(=O)O1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
BACE1 P56817 1/20 0.33
PTPN1 P18031 3/20 0.30
ACP1 P24666 2/20 0.30
CDC25B P30305 2/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL22975175 0.80 TDP1 (0.47)
SCHEMBL794166 0.74 BACE1 (0.42) GLANPSR1BACE1PTPN1ACP1
SCHEMBL3784327 0.73 ALDH1A1 (0.46) GLANPSR1PTPN1ACP1CDC25B
SCHEMBL6385190 0.72 PTPN1 (0.46) GLANPSR1PTPN1ACP1CDC25B
SCHEMBL25185948 0.70 PTPN1 (0.49) GLANPSR1PTPN1ACP1CDC25B
SCHEMBL21221176 0.69 NOD1 (0.35) L3MBTL1
SCHEMBL18556773 0.69 GLA (0.41) GLANPSR1BACE1PTPN1ACP1
SCHEMBL21999082 0.69 GLA (0.43) GLANPSR1BACE1PTPN1ACP1
SCHEMBL23459024 0.69 LMNA (0.39)
SCHEMBL23459023 0.69 LMNA (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4013741-B1 PROCESS OF MAKING CFTR MODULATORS VERTEX PHARMA (US) 2024-04-17 EP 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
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 (3 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 GLA 4641/4885NPSR1 1878/4885BACE1 3859/4885
US-11584761-B2 Process of making CFTR modulators CFTR, SLC26A4, TMEM109 GLA 4641/4885NPSR1 1878/4885BACE1 3859/4885
US-20210047345-A1 PROCESS OF MAKING CFTR MODULATORS CFTR, SLC26A4, TMEM109 GLA 4641/4885NPSR1 1878/4885BACE1 3859/4885

“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.