SCHEMBL23909084

SCHEMBL23909084

C[Si](C)(C)CCOCn1c(Cc2nn(C3CNC3)c(=O)c3ccccc23)nc2cc(OCC(F)F)c(C#N)cc21

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.35
NPC1 O15118 1/20 0.33

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
SCHEMBL23915441 0.96 S1PR2 (0.35) S1PR2NPC1
SCHEMBL23915604 0.91 ADRA1A (0.37) S1PR2NPC1
SCHEMBL23915356 0.89 S1PR2 (0.39) S1PR2NPC1
SCHEMBL23915442 0.87 S1PR2 (0.35) S1PR2
SCHEMBL23908980 0.87 S1PR2 (0.34) S1PR2NPC1
SCHEMBL23914613 0.87 S1PR2 (0.37) S1PR2NPC1
SCHEMBL23909091 0.86 BTK (0.34) S1PR2NPC1
SCHEMBL23908886 0.86 PARP1 (0.36) S1PR2NPC1
SCHEMBL23914722 0.85 S1PR2 (0.36) S1PR2NPC1
SCHEMBL23966551 0.84 S1PR2 (0.37) S1PR2

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 3 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
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 467/4885

“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.