SCHEMBL24323834

SCHEMBL24323834

CCc1ccnc(C(=O)OC)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
KDM4C Q9H3R0 2/20 0.38
KDM6B O15054 1/20 0.38
KDM5C P41229 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38
KDM3A Q9Y4C1 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CDC7 O00311 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
ALOX15 P16050 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ROCK1 Q13464 1/20 0.36
MAPT P10636 1/20 0.36
KDM5A P29375 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35

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
SCHEMBL23355571 0.86 KDM4E (0.38) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL7373737 0.85 KDM4E (0.38) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL31273643 0.85 CYP4F2 (0.43) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL8325976 0.80 KMO (0.45)
SCHEMBL25659071 0.80 SORD (0.42) ALDH1A1CDC7DBF4ALOX15NPSR1
SCHEMBL13185477 0.79 PARP1 (0.45) KDM4EALDH1A1CDC7DBF4
SCHEMBL23355695 0.77 BACE1 (0.36) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL165741 0.77 KDM4E (0.41) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL7077382 0.77 KMT2A (0.43) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL23795448 0.75 ATR (0.42) KDM4EKDM4CKDM6BKDM5CKDM2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240150377-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2024-05-09 US disclosed
EP-4225765-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
CN-116601158-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-08-15 CN disclosed
WO-2022076622-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
WO-2022076622-A2 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-20240150377-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B KDM4E 4172/4885KDM4C 4594/4885KDM6B 4433/4885

“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.