SCHEMBL23908996

SCHEMBL23908996

COc1ccc2c(Cc3nc4cc(Cl)c(OCC(F)F)cc4[nH]3)nn(CC(=O)N3CCOCC3)c(=O)c2c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 9/20 0.67
PIK3CD O00329 1/20 0.41
PIK3CB P42338 1/20 0.41
BRS3 P32247 1/20 0.37
GAA P10253 1/20 0.37
ATM Q13315 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
MEN1 O00255 1/20 0.36
PSMD14 O00487 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
IDH1 O75874 1/20 0.36
RHEB Q15382 1/20 0.36

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
SCHEMBL23908755 0.98 S1PR2 (0.68) S1PR2PIK3CDPIK3CBBRS3GAA
SCHEMBL23966568 0.93 S1PR2 (0.61) S1PR2PIK3CDPIK3CBBRS3GAA
SCHEMBL23908842 0.90 S1PR2 (0.79) S1PR2GAAMEN1KMT2A
SCHEMBL23908735 0.90 S1PR2 (0.66) S1PR2PIK3CDPIK3CBNPC1RAB9A
SCHEMBL23908851 0.89 S1PR2 (0.64) S1PR2NPC1RAB9AIDH1RHEB
SCHEMBL23908835 0.87 S1PR2 (0.66) S1PR2GAAATMMEN1ALDH1A1
SCHEMBL23914869 0.86 S1PR2 (0.72) S1PR2PIK3CDPIK3CBMEN1KMT2A
SCHEMBL23908912 0.86 S1PR2 (0.80) S1PR2MEN1KMT2A
SCHEMBL23908950 0.85 S1PR2 (0.70) S1PR2MEN1KMT2AGRIN2BNPC1
SCHEMBL23908734 0.84 S1PR2 (0.69) S1PR2NPC1RAB9AIDH1RHEB

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
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
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 3/4885PIK3CD 1311/4885PIK3CB 966/4885

“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.