SCHEMBL23908727

SCHEMBL23908727

O=C(O)Cn1nc(Cc2nc3cc(Cl)c(OCC4CC4)cc3[nH]2)c2c(c1=O)CCCC2

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 14/20 0.69
KCNH2 Q12809 1/20 0.38
KMO O15229 2/20 0.37
KDM4A O75164 2/20 0.36
KDM5A P29375 2/20 0.36
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR3 P22607 1/20 0.35

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
SCHEMBL23914605 0.90 S1PR2 (0.57) S1PR2KCNH2KDM4AKDM5AFGFR1
SCHEMBL23908754 0.89 S1PR2 (0.67) S1PR2PRKAG1PRKAA2PRKAA1PRKAB1
SCHEMBL23908798 0.87 S1PR2 (0.66) S1PR2PRKAG1PRKAA2PRKAA1PRKAB1
SCHEMBL23908873 0.87 S1PR2 (0.68) S1PR2PRKAG1PRKAA2PRKAA1PRKAB1
SCHEMBL23908751 0.86 S1PR2 (0.67) S1PR2PRKAG1PRKAA2PRKAA1PRKAB1
SCHEMBL23908818 0.85 S1PR2 (0.94) S1PR2KCNH2
SCHEMBL23966580 0.85 S1PR2 (0.55) S1PR2PRKAG1PRKAA2PRKAA1PRKAB1
SCHEMBL23915346 0.80 S1PR2 (0.55) S1PR2
SCHEMBL23966889 0.79 S1PR2 (0.58) S1PR2
SCHEMBL23915323 0.79 S1PR2 (0.54) S1PR2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3/4885KCNH2 1865/4885KMO 2034/4885

“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.