SCHEMBL23915533

SCHEMBL23915533

C[Si](C)(C)CCOCn1nc(CC(=O)O)c(=O)c2ccc(F)cc21

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 7/20 0.39
PTGDR2 Q9Y5Y4 10/20 0.38
NPC1 O15118 1/20 0.36
DGAT1 O75907 1/20 0.36
MAPT P10636 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
SCHEMBL23914662 0.90 DGAT1 (0.36) NPC1DGAT1MAPT
SCHEMBL23915534 0.87 PTGDR2 (0.39) AKR1B1PTGDR2
SCHEMBL23913695 0.86 DGAT1 (0.36) NPC1DGAT1MAPT
SCHEMBL23908911 0.85 MAPT (0.45) AKR1B1NPC1MAPT
SCHEMBL23915000 0.84 DGAT1 (0.36) NPC1DGAT1MAPT
SCHEMBL23914648 0.77 MAPK8 (0.36) PTGDR2MAPT
SCHEMBL23915455 0.76 SMN1; SMN2 (0.39) AKR1B1PTGDR2NPC1MAPT
SCHEMBL23909037 0.74 NPC1 (0.44) NPC1MAPT
SCHEMBL23913696 0.73 MAPK8 (0.34)
SCHEMBL31411363 0.73 DGAT1 (0.40) AKR1B1NPC1DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 AKR1B1 124/4885PTGDR2 123/4885NPC1 467/4885

“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.