SCHEMBL23908990

SCHEMBL23908990

O=C(Cc1nn(Cc2nc3cc(OCC(F)F)c(Cl)cc3[nH]2)c2ccccc2c1=O)N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 10/20 0.57
RHEB Q15382 1/20 0.42
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FKBP1A P62942 1/20 0.35
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL23909015 0.92 S1PR2 (0.47) S1PR2RHEBHSD17B10ALDH1A1HPGD
SCHEMBL23909040 0.90 S1PR2 (0.45) S1PR2HSD17B10ALDH1A1HPGDL3MBTL1
SCHEMBL23909003 0.88 S1PR2 (0.66) S1PR2RHEB
SCHEMBL23915326 0.86 S1PR2 (0.59) S1PR2RHEBHSD17B10ALDH1A1
SCHEMBL23908842 0.79 S1PR2 (0.79) S1PR2HSD17B10KMT2AMEN1
SCHEMBL23914682 0.77 S1PR2 (0.69) S1PR2RHEBHTT
SCHEMBL23908950 0.76 S1PR2 (0.70) S1PR2RHEBHSD17B10FKBP1AKMT2A
SCHEMBL23908733 0.76 S1PR2 (0.62) S1PR2RHEBHSD17B10ALDH1A1HTT
SCHEMBL23914869 0.76 S1PR2 (0.72) S1PR2RHEBFKBP1AKMT2AHTT
SCHEMBL23908779 0.75 S1PR2 (0.65) S1PR2RHEBHSD17B10FKBP1AKMT2A

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 2911/4885HSD17B10 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.