SCHEMBL23908950

SCHEMBL23908950

NC(=O)c1ccc2c(=O)n(CC(=O)N3CCOCC3)nc(Cc3nc4cc(OCC(F)F)c(Cl)cc4[nH]3)c2c1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 10/20 0.70
RHEB Q15382 1/20 0.38
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
NPC1 O15118 1/20 0.34
MITF O75030 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
FKBP1A P62942 1/20 0.33
GRIN2B Q13224 1/20 0.33
IRAK4 Q9NWZ3 2/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL23914869 0.90 S1PR2 (0.72) S1PR2RHEBNPC1MITFLMNA
SCHEMBL23908734 0.89 S1PR2 (0.69) S1PR2RHEBNPC1MITFLMNA
SCHEMBL23908842 0.88 S1PR2 (0.79) S1PR2MEN1MAPTKMT2AHSD17B10
SCHEMBL23966871 0.88 S1PR2 (0.58) S1PR2RHEBMEN1USP2MAPT
SCHEMBL23908755 0.86 S1PR2 (0.68) S1PR2RHEBNPC1RAB9AGRIN2B
SCHEMBL23908835 0.85 S1PR2 (0.66) S1PR2RHEBHTTMEN1USP2
SCHEMBL23908735 0.85 S1PR2 (0.66) S1PR2RHEBNPC1MITFLMNA
SCHEMBL23908779 0.85 S1PR2 (0.65) S1PR2RHEBNPC1MITFLMNA
SCHEMBL23914682 0.85 S1PR2 (0.69) S1PR2RHEBNPC1MITFLMNA
SCHEMBL23908996 0.85 S1PR2 (0.67) S1PR2RHEBNPC1RAB9AGRIN2B

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 2911/4885PARP1 633/4885

“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.