SCHEMBL23914841

SCHEMBL23914841

COC(=O)C(OC)c1nn(COCC[Si](C)(C)C)c2ccccc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
S1PR2 O95136 5/20 0.38
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 3/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
EGFR P00533 1/20 0.34
IGF1R P08069 1/20 0.34
SRC P12931 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
FLT3 P36888 1/20 0.34
EPHB4 P54760 1/20 0.34
TEK Q02763 1/20 0.34
MAPK8 P45983 1/20 0.32
F11 P03951 1/20 0.32
USP2 O75604 1/20 0.32

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
SCHEMBL23908966 0.91 S1PR2 (0.46) NPC1S1PR2ALDH1A1SMN1; SMN2LMNA
SCHEMBL23908948 0.89 NPC1 (0.42) NPC1S1PR2ALDH1A1SMN1; SMN2LMNA
SCHEMBL23914840 0.88 S1PR2 (0.38) S1PR2ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL23914659 0.87 NPC1 (0.41) NPC1S1PR2ALDH1A1SMN1; SMN2LMNA
SCHEMBL23915526 0.78 S1PR2 (0.46) S1PR2ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL23909037 0.78 NPC1 (0.44) NPC1S1PR2ALDH1A1SMN1; SMN2LMNA
SCHEMBL23914657 0.78 SMN1; SMN2 (0.36) S1PR2ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL23909128 0.77 NPC1 (0.43) NPC1ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL23909127 0.77 NPC1 (0.43) NPC1S1PR2ALDH1A1SMN1; SMN2LMNA
SCHEMBL28381362 0.76 NPC1 (0.42) NPC1ALDH1A1SMN1; SMN2LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 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 (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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 NPC1 467/4885S1PR2 3/4885ALDH1A1 944/4885

“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.