SCHEMBL23914869

SCHEMBL23914869

O=C(Cn1nc(Cc2nc3cc(OCC(F)F)c(Cl)cc3[nH]2)c2cc(Br)ccc2c1=O)N1CCOCC1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 10/20 0.72
RHEB Q15382 1/20 0.39
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
KMT2A Q03164 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
FKBP1A P62942 1/20 0.34
MEN1 O00255 1/20 0.34
GRIN2B Q13224 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33

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
SCHEMBL23908950 0.90 S1PR2 (0.70) S1PR2RHEBKMT2ALMNANPC1
SCHEMBL23908734 0.90 S1PR2 (0.69) S1PR2RHEBLMNANPC1MITF
SCHEMBL23908842 0.89 S1PR2 (0.79) S1PR2KMT2AMEN1
SCHEMBL23966552 0.89 S1PR2 (0.84) S1PR2RHEBNPC1RAB9A
SCHEMBL23914682 0.89 S1PR2 (0.69) S1PR2RHEBLMNATP53NPC1
SCHEMBL23908755 0.88 S1PR2 (0.68) S1PR2RHEBPIK3CDPIK3CBKMT2A
SCHEMBL23908835 0.86 S1PR2 (0.66) S1PR2RHEBKMT2AHTTMEN1
SCHEMBL23966848 0.86 S1PR2 (0.72) S1PR2RHEBTP53
SCHEMBL23908735 0.86 S1PR2 (0.66) S1PR2RHEBPIK3CDPIK3CAPIK3CB
SCHEMBL23908779 0.86 S1PR2 (0.65) S1PR2RHEBPIK3CDPIK3CAPIK3CB

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 3/4885RHEB 2911/4885PIK3CD 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.