SCHEMBL23915581

SCHEMBL23915581

CC(C)(C)OC(=O)N1CCC(n2nc(Cc3nc4cc(OCC(F)F)c(C#N)cc4[nH]3)c3ccccc3c2=O)C1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 8/20 0.49
TBK1 Q9UHD2 5/20 0.36
BTK Q06187 1/20 0.35
NSD2 O96028 1/20 0.34
PIK3CD O00329 1/20 0.34
TNF P01375 2/20 0.34
LITAF Q99732 2/20 0.34
GPR119 Q8TDV5 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
SCHEMBL23915477 0.95 S1PR2 (0.52) S1PR2TBK1NSD2
SCHEMBL23914857 0.91 S1PR2 (0.43) S1PR2TBK1BTKNSD2PIK3CD
SCHEMBL23909045 0.88 S1PR2 (0.51) S1PR2
SCHEMBL23908838 0.86 S1PR2 (0.58) S1PR2
SCHEMBL23966573 0.84 BTK (0.35) S1PR2TBK1BTKNSD2PIK3CD
SCHEMBL23908793 0.84 S1PR2 (0.52) S1PR2PIK3CD
SCHEMBL23908822 0.84 S1PR2 (0.54) S1PR2
SCHEMBL23908868 0.83 S1PR2 (0.61) S1PR2
SCHEMBL23914714 0.83 S1PR2 (0.60) S1PR2BTKTNFLITAF
SCHEMBL23915580 0.81 S1PR2 (0.52) S1PR2TNFLITAF

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 3/4885TBK1 2445/4885BTK 2115/4885

“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.