SCHEMBL23908734

SCHEMBL23908734

N#Cc1ccc2c(=O)n(CC(=O)N3CCOCC3)nc(Cc3nc4cc(OCC(F)F)c(Cl)cc4[nH]3)c2c1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 10/20 0.69
RHEB Q15382 1/20 0.37
IDH1 O75874 2/20 0.36
CDK1 P06493 1/20 0.35
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
USP2 O75604 1/20 0.34
PKM P14618 1/20 0.34
SCN7A Q01118 1/20 0.34
KCNH2 Q12809 1/20 0.34
RORC P51449 1/20 0.33
FKBP1A P62942 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
SCHEMBL23908851 0.95 S1PR2 (0.64) S1PR2RHEBIDH1CDK1NPC1
SCHEMBL23914869 0.90 S1PR2 (0.72) S1PR2RHEBNPC1MITFLMNA
SCHEMBL23914638 0.90 S1PR2 (0.80) S1PR2RHEB
SCHEMBL23908950 0.89 S1PR2 (0.70) S1PR2RHEBNPC1MITFLMNA
SCHEMBL23908842 0.88 S1PR2 (0.79) S1PR2
SCHEMBL23908858 0.87 S1PR2 (0.75) S1PR2
SCHEMBL23908755 0.86 S1PR2 (0.68) S1PR2RHEBIDH1NPC1RAB9A
SCHEMBL23914585 0.86 S1PR2 (0.68) S1PR2
SCHEMBL23908835 0.85 S1PR2 (0.66) S1PR2RHEBHTTUSP2
SCHEMBL23908890 0.84 S1PR2 (0.66) S1PR2IDH1

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 3/4885RHEB 2911/4885IDH1 4401/4885

“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.