SCHEMBL24326486

SCHEMBL24326486

CCOC(=O)C1c2ccc(C(C)(C)C)cc2CNC1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 6/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 4/20 0.34
MAPT P10636 3/20 0.34
HPGD P15428 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TP53 P04637 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
SCHEMBL24326487 0.73 CYP1A2 (0.33) CYP1A2CYP2D6CYP2C19ALDH1A1HPGD
SCHEMBL8008447 0.70 KMT2A (0.49) MEN1KMT2AALDH1A1USP2SMN1; SMN2
SCHEMBL8010698 0.67 KMT2A (0.68) MEN1KMT2AALDH1A1USP2SMN1; SMN2
SCHEMBL15912353 0.66 PNMT (0.34) MEN1KMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL5294802 0.66 MEN1 (0.42) MEN1KMT2ACYP2C19ALDH1A1USP2
SCHEMBL5287446 0.66 MEN1 (0.40) MEN1KMT2ACYP1A2CYP2C19ALDH1A1
SCHEMBL1474655 0.66 MAPT (0.45) MEN1KMT2ACYP1A2CYP2C19ALDH1A1
SCHEMBL24409538 0.65 PRCP (0.40) CYP1A2CYP2D6CYP2C19ALDH1A1HPGD
SCHEMBL24326763 0.64 CYP1A2 (0.32) CYP1A2CYP2D6CYP2C19ALDH1A1HPGD
SCHEMBL9820733 0.64 MEN1 (0.45) MEN1KMT2ACYP2C19ALDH1A1USP2

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 7 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
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 MEN1 4491/4885KMT2A 4667/4885CYP1A2 4575/4885

“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.