SCHEMBL23915475

SCHEMBL23915475

CC(C)(C)OC(=O)N1CCCC(Cn2nc(Cc3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)c3ccccc3c2=O)C1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 11/20 0.63
HRH1 P35367 5/20 0.39
ADRA1A P35348 4/20 0.39
ADRA1B P35368 4/20 0.39
CHEK2 O96017 1/20 0.38
HTR6 P50406 1/20 0.38
KCNH2 Q12809 3/20 0.37
CYP2D6 P10635 1/20 0.37
HRH2 P25021 1/20 0.37
HTR2B P41595 1/20 0.37
CYP2C9 P11712 1/20 0.37

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 0.96 S1PR2 (0.65) S1PR2HRH1ADRA1AADRA1B
SCHEMBL23914711 0.93 S1PR2 (0.68) S1PR2HRH1ADRA1AADRA1B
SCHEMBL23915479 0.92 S1PR2 (0.67) S1PR2HRH1ADRA1AADRA1B
SCHEMBL23914850 0.89 S1PR2 (0.66) S1PR2HRH1ADRA1AADRA1BKCNH2
SCHEMBL23909041 0.88 S1PR2 (0.67) S1PR2HRH1ADRA1AADRA1BKCNH2
SCHEMBL23915462 0.88 S1PR2 (0.63) S1PR2HRH1ADRA1AADRA1BKCNH2
SCHEMBL23914717 0.87 S1PR2 (0.66) S1PR2HRH1ADRA1AADRA1BCHEK2
SCHEMBL23908845 0.86 S1PR2 (0.73) S1PR2HRH1ADRA1AADRA1BKCNH2
SCHEMBL23914817 0.86 S1PR2 (0.62) S1PR2HRH1ADRA1AADRA1BKCNH2
SCHEMBL23914714 0.85 S1PR2 (0.60) S1PR2HRH1ADRA1AADRA1BKCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3/4885HRH1 385/4885ADRA1A 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.