SCHEMBL23909091

SCHEMBL23909091

CC(C)(C)OC(=O)N1CCC(n2nc(Cc3nc4cc(OCC(F)F)c(C#N)cc4n3COCC[Si](C)(C)C)c3ccccc3c2=O)C1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.34
GPR119 Q8TDV5 2/20 0.34
TBK1 Q9UHD2 5/20 0.32
PIK3CD O00329 2/20 0.32
S1PR2 O95136 1/20 0.32
NPC1 O15118 1/20 0.31
PIK3CA P42336 2/20 0.31
PIK3R2 O00459 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
PIK3R5 Q8WYR1 1/20 0.31
PIK3R3 Q92569 1/20 0.31
TNF P01375 2/20 0.31
LITAF Q99732 2/20 0.31
NSD2 O96028 2/20 0.31
EHMT2 Q96KQ7 1/20 0.31
PARP1 P09874 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
IKBKE Q14164 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
SCHEMBL23915604 0.90 ADRA1A (0.37) S1PR2NPC1
SCHEMBL23914613 0.89 S1PR2 (0.37) S1PR2NPC1
SCHEMBL23915419 0.88 S1PR2 (0.34) S1PR2NPC1PIK3CA
SCHEMBL23915420 0.88 S1PR2 (0.33) S1PR2
SCHEMBL23914723 0.87 PGR (0.33) PIK3CDS1PR2NPC1
SCHEMBL23966573 0.87 BTK (0.35) BTKGPR119TBK1PIK3CDS1PR2
SCHEMBL23909084 0.86 S1PR2 (0.35) S1PR2NPC1
SCHEMBL23915356 0.86 S1PR2 (0.39) S1PR2NPC1
SCHEMBL23908919 0.86 S1PR2 (0.35) S1PR2
SCHEMBL23915441 0.86 S1PR2 (0.35) S1PR2NPC1

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 5 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
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
CN-110869359-A Novel compounds and pharmaceutical compositions thereof for the treatment of fibrosis 加拉帕戈斯股份有限公司 2020-03-06 CN 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 BTK 2115/4885GPR119 105/4885TBK1 2445/4885

“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.