SCHEMBL23914711

SCHEMBL23914711

CC(C)(C)OC(=O)N1CC(Cn2nc(Cc3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)c3ccccc3c2=O)C1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 16/20 0.68
ROCK1 Q13464 1/20 0.40
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
ADRA1B P35368 1/20 0.37
EGLN1 Q9GZT9 1/20 0.35

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
SCHEMBL23914710 0.95 S1PR2 (0.65) S1PR2ADRA1AHRH1ADRA1B
SCHEMBL23915475 0.93 S1PR2 (0.63) S1PR2ADRA1AHRH1ADRA1B
SCHEMBL23915479 0.93 S1PR2 (0.67) S1PR2ADRA1AHRH1ADRA1B
SCHEMBL23915462 0.89 S1PR2 (0.63) S1PR2ADRA1AHRH1ADRA1B
SCHEMBL23914717 0.88 S1PR2 (0.66) S1PR2ADRA1AHRH1ADRA1B
SCHEMBL23914850 0.87 S1PR2 (0.66) S1PR2ADRA1AHRH1ADRA1B
SCHEMBL23915339 0.87 S1PR2 (0.68) S1PR2
SCHEMBL23908975 0.86 S1PR2 (0.76) S1PR2ADRA1AHRH1ADRA1B
SCHEMBL23908863 0.85 S1PR2 (0.73) S1PR2ADRA1AHRH1ADRA1BEGLN1
SCHEMBL23908845 0.85 S1PR2 (0.73) S1PR2ADRA1AHRH1ADRA1B

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 3/4885ROCK1 414/4885ADRA1A 37/4885

“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.