SCHEMBL23908986

SCHEMBL23908986

CC1(C)CCN(C(=O)Cn2nc(Cc3nc4cc(OCC(F)F)c(C#N)cc4[nH]3)c3ccccc3c2=O)C1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 11/20 0.61
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 2/20 0.34
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 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
SCHEMBL23908790 0.97 S1PR2 (0.61) S1PR2KDM4EHSD17B10POLBTP53
SCHEMBL23908803 0.95 S1PR2 (0.59) S1PR2KDM4EHSD17B10POLBTP53
SCHEMBL23908932 0.92 S1PR2 (0.59) S1PR2KDM4EHSD17B10POLBTP53
SCHEMBL23909012 0.91 S1PR2 (0.58) S1PR2KDM4EHSD17B10POLBTP53
SCHEMBL23909000 0.91 S1PR2 (0.58) S1PR2KDM4EHSD17B10POLBTP53
SCHEMBL23908797 0.90 S1PR2 (0.57) S1PR2KDM4EHSD17B10POLBTP53
SCHEMBL23908781 0.89 S1PR2 (0.60) S1PR2KDM4EHSD17B10POLBTP53
SCHEMBL23908823 0.89 S1PR2 (0.59) S1PR2KDM4EHSD17B10POLBTP53
SCHEMBL23908729 0.89 S1PR2 (0.60) S1PR2KDM4EHSD17B10POLBMAPT
SCHEMBL23914585 0.89 S1PR2 (0.68) S1PR2KDM4EHSD17B10POLBTP53

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 8 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
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 3/4885KDM4E 3835/4885HSD17B10 2447/4885

“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.