SCHEMBL24325920

SCHEMBL24325920

C=CCC(c1ccccc1)N(CC=C)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
CYP2C19 P33261 1/20 0.42
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
NPSR1 Q6W5P4 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
BACE1 P56817 1/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
KDM4E B2RXH2 2/20 0.34
RIPK1 Q13546 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL3574677 0.89 AAK1 (0.35) SMN1; SMN2CYP2C19L3MBTL1NPSR1CTSS
SCHEMBL8501108 0.83 NPSR1 (0.51) MAPTL3MBTL1NPSR1BACE1CTSS
SCHEMBL27006663 0.81 CYP2C19 (0.51) SMN1; SMN2CYP2C19MAPTCHRNB2CHRNB4
SCHEMBL8936940 0.77 TACR1 (0.57)
SCHEMBL7832630 0.76 MAPT (0.42) SMN1; SMN2CYP2C19MAPTL3MBTL1NPSR1
SCHEMBL5403784 0.76 L3MBTL1 (0.41) L3MBTL1BACE1CTSSMEN1KMT2A
SCHEMBL948156 0.76 L3MBTL1 (0.43) MAPTL3MBTL1NPSR1CTSSCTSK
SCHEMBL948167 0.76 L3MBTL1 (0.43) MAPTL3MBTL1NPSR1CTSSCTSK
SCHEMBL6185894 0.75 MEN1 (0.39) SMN1; SMN2CYP2C19MAPTL3MBTL1NPSR1
SCHEMBL27390921 0.75 L3MBTL1 (0.42) MAPTL3MBTL1NPSR1CHRNB2CHRNB4

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
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
CN-116670143-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-08-29 CN 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 SMN1; SMN2 4787/4885CYP2C19 4432/4885MAPT 4857/4885

“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.