SCHEMBL23915455

SCHEMBL23915455

Cc1cccc2c1c(=O)c(CC(=O)O)nn2COCC[Si](C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
AKR1B1 P15121 6/20 0.38
CMA1 P23946 3/20 0.38
NPC1 O15118 1/20 0.37
SLC22A12 Q96S37 2/20 0.36
MAPT P10636 1/20 0.36
PTGDR2 Q9Y5Y4 5/20 0.34
CTSG P08311 1/20 0.32
S1PR2 O95136 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
SCHEMBL23915005 0.90 NPC1 (0.36) SMN1; SMN2CMA1NPC1
SCHEMBL23915456 0.86 AKR1B1 (0.38) SMN1; SMN2AKR1B1CMA1SLC22A12MAPT
SCHEMBL23915531 0.86 NPC1 (0.35) CMA1NPC1
SCHEMBL23914644 0.84 NPC1 (0.33) CMA1NPC1
SCHEMBL23908911 0.84 MAPT (0.45) AKR1B1NPC1MAPTS1PR2
SCHEMBL23915024 0.76 CMA1 (0.32) SMN1; SMN2CMA1
SCHEMBL23915533 0.76 AKR1B1 (0.39) AKR1B1NPC1MAPTPTGDR2
SCHEMBL23909037 0.73 NPC1 (0.44) SMN1; SMN2NPC1MAPTS1PR2
SCHEMBL31198904 0.73 NPC1 (0.32) NPC1
SCHEMBL23915532 0.72 CMA1 (0.32) CMA1

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 SMN1; SMN2 2920/4885AKR1B1 124/4885CMA1 260/4885

“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.