SCHEMBL23914725

SCHEMBL23914725

CCOC(=O)CN1CCC(n2nc(Cc3nc4cc(OCC(F)F)c(C#N)cc4n3COCCS(C)(C)C)c3ccccc3c2=O)C1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.32
S1PR2 O95136 1/20 0.32
PIK3CD O00329 1/20 0.32
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL23915196 0.96 S1PR2 (0.33) S1PR2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL23914615 0.93 S1PR2 (0.37) S1PR2
SCHEMBL23914723 0.93 PGR (0.33) PGRS1PR2PIK3CDCYP1A2CYP3A4
SCHEMBL23915609 0.89 ADRA1A (0.36) S1PR2CYP3A4
SCHEMBL23908980 0.88 S1PR2 (0.34) S1PR2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL23914613 0.86 S1PR2 (0.37) S1PR2
SCHEMBL23914614 0.85 HRH1 (0.36) S1PR2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL23915420 0.84 S1PR2 (0.33) S1PR2
SCHEMBL23915442 0.84 S1PR2 (0.35) S1PR2
SCHEMBL23966827 0.82 S1PR2 (0.36) PGRS1PR2PIK3CDCYP1A2CYP3A4

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 PGR 1866/4885S1PR2 3/4885PIK3CD 1311/4885

“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.