SCHEMBL23908892

SCHEMBL23908892

CC(C)(C)OC(=O)Cc1nn(Cc2nc3cc(C#N)c(OCC4CC4)cc3n2COCC[Si](C)(C)C)c2ccccc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 14/20 0.42
NPC1 O15118 1/20 0.33
XDH P47989 1/20 0.32
KLKB1 P03952 1/20 0.31
KCNH2 Q12809 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
SCHEMBL23909053 0.97 S1PR2 (0.42) S1PR2NPC1XDHKLKB1KCNH2
SCHEMBL23914777 0.93 S1PR2 (0.42) S1PR2XDHKCNH2
SCHEMBL23914864 0.93 S1PR2 (0.43) S1PR2NPC1XDHKCNH2
SCHEMBL23909100 0.88 S1PR2 (0.37) S1PR2NPC1XDHKLKB1
SCHEMBL23909067 0.86 S1PR2 (0.37) S1PR2NPC1XDHKLKB1
SCHEMBL23909126 0.85 S1PR2 (0.40) S1PR2NPC1
SCHEMBL23914861 0.85 S1PR2 (0.43) S1PR2XDHKCNH2
SCHEMBL23915582 0.84 HTT (0.38) S1PR2NPC1XDH
SCHEMBL23908962 0.83 S1PR2 (0.40) S1PR2NPC1
SCHEMBL23914772 0.81 S1PR2 (0.38) S1PR2XDH

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 S1PR2 3/4885NPC1 467/4885XDH 3672/4885

“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.