SCHEMBL23909124

SCHEMBL23909124

CNC(=O)C(n1nc(Cc2nc3cc(OCC(F)F)c(Cl)cc3[nH]2)c2cc(C#N)ccc2c1=O)[SH](=O)=O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 9/20 0.56
RHEB Q15382 2/20 0.33
PTGES O14684 2/20 0.32
PRCP P42785 1/20 0.31
PDE5A O76074 2/20 0.31
TP53 P04637 1/20 0.31
KCNH2 Q12809 1/20 0.30
PDE9A O76083 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
SCHEMBL23914638 0.83 S1PR2 (0.80) S1PR2RHEB
SCHEMBL23909101 0.82 S1PR2 (0.52) S1PR2RHEBKCNH2
SCHEMBL23909082 0.82 S1PR2 (0.57) S1PR2
SCHEMBL23909008 0.81 S1PR2 (0.68) S1PR2KCNH2
SCHEMBL23908801 0.81 S1PR2 (0.67) S1PR2RHEBTP53
SCHEMBL23908858 0.80 S1PR2 (0.75) S1PR2
SCHEMBL23908970 0.79 S1PR2 (0.54) S1PR2RHEBKCNH2
SCHEMBL23966863 0.78 S1PR2 (0.60) S1PR2RHEBPDE5A
SCHEMBL23908734 0.78 S1PR2 (0.69) S1PR2RHEBKCNH2
SCHEMBL23909119 0.75 S1PR2 (0.54) S1PR2TP53

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 3/4885RHEB 2911/4885PTGES 313/4885

“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.