SCHEMBL23914689

SCHEMBL23914689

O=C(O)Cn1nc(Cc2nc3cc(OCC(F)F)c(F)cc3[nH]2)c2c(c1=O)CCCC2

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 8/20 0.60
AKR1B1 P15121 3/20 0.39
EGLN1 Q9GZT9 1/20 0.33
MAPT P10636 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
TP53 P04637 1/20 0.31
PARP1 P09874 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
SCHEMBL23914851 0.90 S1PR2 (0.49) S1PR2AKR1B1EGLN1PARP1
SCHEMBL23915343 0.90 S1PR2 (0.58) S1PR2AKR1B1
SCHEMBL23908873 0.89 S1PR2 (0.68) S1PR2AKR1B1MAPT
SCHEMBL23908772 0.89 S1PR2 (0.53) S1PR2AKR1B1PARP1
SCHEMBL23914679 0.88 S1PR2 (0.56) S1PR2AKR1B1
SCHEMBL23908998 0.84 S1PR2 (0.83) S1PR2AKR1B1
SCHEMBL23915330 0.80 S1PR2 (0.56) S1PR2MAPTTP53
SCHEMBL23966580 0.79 S1PR2 (0.55) S1PR2AKR1B1MAPTPTGDR2
SCHEMBL23908754 0.78 S1PR2 (0.67) S1PR2AKR1B1PTGDR2
SCHEMBL23908751 0.78 S1PR2 (0.67) S1PR2AKR1B1EGLN1MAPTTP53

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 3/4885AKR1B1 124/4885EGLN1 1677/4885

“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.