SCHEMBL23908872

SCHEMBL23908872

N#Cc1cc2nc(Cc3nn(CC(=O)NC[C@H](O)C(F)(F)F)c(=O)c4ccccc34)[nH]c2cc1OCC(F)F

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 9/20 0.59
SMN1; SMN2 Q16637 1/20 0.36
AKR1B1 P15121 5/20 0.36
MAPT P10636 1/20 0.35
GLA P06280 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
SCHEMBL23908874 1.00 S1PR2 (0.59) S1PR2SMN1; SMN2AKR1B1MAPTGLA
SCHEMBL23908791 0.91 S1PR2 (0.60) S1PR2SMN1; SMN2AKR1B1GLA
SCHEMBL23909007 0.91 S1PR2 (0.59) S1PR2GLA
SCHEMBL23908752 0.90 S1PR2 (0.65) S1PR2SMN1; SMN2AKR1B1GLA
SCHEMBL23908880 0.89 S1PR2 (0.63) S1PR2SMN1; SMN2AKR1B1MAPTGLA
SCHEMBL23908741 0.88 S1PR2 (0.57) S1PR2SMN1; SMN2AKR1B1MAPTGLA
SCHEMBL23908861 0.87 S1PR2 (0.76) S1PR2AKR1B1
SCHEMBL23908780 0.87 S1PR2 (0.61) S1PR2GLA
SCHEMBL23908913 0.87 S1PR2 (0.63) S1PR2SMN1; SMN2AKR1B1MAPTGLA
SCHEMBL23966675 0.87 S1PR2 (0.54) S1PR2SMN1; SMN2AKR1B1GLA

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 7 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 claimed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 US claimed
CN-110869359-A Novel compounds and pharmaceutical compositions thereof for the treatment of fibrosis 加拉帕戈斯股份有限公司 2020-03-06 CN claimed
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
CN-110869359-A Novel compounds and pharmaceutical compositions thereof for the treatment of fibrosis 加拉帕戈斯股份有限公司 2020-03-06 CN 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 3/4885SMN1; SMN2 2920/4885AKR1B1 124/4885

“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.