SCHEMBL23915531

SCHEMBL23915531

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
CMA1 P23946 2/20 0.32
DGAT1 O75907 2/20 0.30
EGFR P00533 1/20 0.30
IGF1R P08069 1/20 0.30
SRC P12931 1/20 0.30
FLT4 P35916 1/20 0.30
KDR P35968 1/20 0.30
FLT3 P36888 1/20 0.30
EPHB4 P54760 1/20 0.30
TEK Q02763 1/20 0.30

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
SCHEMBL23915532 0.86 CMA1 (0.32) CMA1
SCHEMBL23915455 0.86 SMN1; SMN2 (0.39) NPC1CMA1
SCHEMBL23914644 0.85 NPC1 (0.33) NPC1CMA1EGFRIGF1RSRC
SCHEMBL23915005 0.84 NPC1 (0.36) NPC1CMA1DGAT1EGFRIGF1R
SCHEMBL23908827 0.83 NPC1 (0.43) NPC1CMA1EGFRIGF1RSRC
SCHEMBL31411270 0.81 NPC1 (0.35) NPC1DGAT1
SCHEMBL23913695 0.75 DGAT1 (0.36) NPC1DGAT1
SCHEMBL31198904 0.74 NPC1 (0.32) NPC1DGAT1
SCHEMBL23915456 0.72 AKR1B1 (0.38) CMA1
SCHEMBL31411402 0.72 F2RL1 (0.35) DGAT1EGFRIGF1RSRCFLT4

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 NPC1 467/4885CMA1 260/4885DGAT1 1128/4885

“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.