SCHEMBL23914704

SCHEMBL23914704

CC(C)(C)OC(=O)Cn1nc(Cc2nc3cc(OCC(F)F)c(Cl)cc3[nH]2)c2c(F)ccc(F)c2c1=O

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 10/20 0.62
RHEB Q15382 3/20 0.37
PTGES O14684 5/20 0.32
CCNB2 O95067 1/20 0.31
CCNE2 O96020 1/20 0.31
CDK1 P06493 1/20 0.31
CDK4 P11802 1/20 0.31
CCNB1 P14635 1/20 0.31
CCND1 P24385 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31

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
SCHEMBL23966818 0.92 S1PR2 (0.65) S1PR2RHEB
SCHEMBL23966815 0.90 S1PR2 (0.63) S1PR2RHEBCCNE2CCNE1CDK2
SCHEMBL23908839 0.90 S1PR2 (0.75) S1PR2RHEB
SCHEMBL23908918 0.85 S1PR2 (0.69) S1PR2RHEBPTGES
SCHEMBL23914694 0.84 S1PR2 (0.76) S1PR2
SCHEMBL23908779 0.84 S1PR2 (0.65) S1PR2RHEB
SCHEMBL23915330 0.82 S1PR2 (0.56) S1PR2RHEB
SCHEMBL23915328 0.82 S1PR2 (0.68) S1PR2
SCHEMBL23914851 0.80 S1PR2 (0.49) S1PR2
SCHEMBL23914693 0.78 S1PR2 (0.82) S1PR2

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.