SCHEMBL23909031

SCHEMBL23909031

CC(C)(C)OC(=O)Cn1nc(Cn2cc3cc(OCC4CC4)c(Br)cc3n2)c2ccccc2c1=O

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 14/20 0.67
KCNH2 Q12809 1/20 0.55
IRAK4 Q9NWZ3 4/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALOX15 P16050 1/20 0.34

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
SCHEMBL23915497 0.91 S1PR2 (0.81) S1PR2KCNH2
SCHEMBL23915359 0.90 S1PR2 (0.66) S1PR2KCNH2CYP1A2CYP3A4CYP2C9
SCHEMBL23908884 0.90 S1PR2 (0.81) S1PR2KCNH2ALOX15
SCHEMBL23909102 0.90 S1PR2 (0.65) S1PR2KCNH2IRAK4CYP1A2CYP3A4
SCHEMBL23915361 0.87 S1PR2 (0.54) S1PR2KCNH2CYP1A2CYP3A4CYP2C9
SCHEMBL23908854 0.80 S1PR2 (1.00) S1PR2KCNH2ALOX15
SCHEMBL23908778 0.80 S1PR2 (0.80) S1PR2KCNH2
SCHEMBL23908927 0.80 S1PR2 (0.80) S1PR2KCNH2CYP1A2CYP3A4CYP2C9
SCHEMBL23915495 0.79 S1PR2 (0.88) S1PR2KCNH2
SCHEMBL23908841 0.79 S1PR2 (0.79) S1PR2KCNH2ALOX15

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 4 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
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
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 3/4885KCNH2 1865/4885IRAK4 1219/4885

“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.