SCHEMBL16595779

SCHEMBL16595779

O=C(O)C(F)(F)C1Cc2ccc(F)cc2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
ACHE P22303 1/20 0.36
DPP9 Q86TI2 5/20 0.35
DPP4 P27487 3/20 0.35
DPP8 Q6V1X1 3/20 0.35
DPP7 Q9UHL4 2/20 0.35
SLC6A4 P31645 2/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
KDM1A O60341 1/20 0.35
NOTUM Q6P988 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
KEAP1 Q14145 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
SCHEMBL16595274 0.82 PNMT (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16595778 0.81 HTR1D (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16595708 0.80 PNMT (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16595179 0.77 PTGS2 (0.33) KDM1A
SCHEMBL4015666 0.75 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16595251 0.73 HDAC1 (0.33)
SCHEMBL10192246 0.73 ACHE (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22344890 0.71 SLC6A4 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL935855 0.70 NOTUM (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6956981 0.70 PRMT5 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A

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-3912977-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BioMarin Pharmaceutical Inc. (US) 2021-11-24 EP disclosed
EP-3046920-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARM INC (US) 2021-08-04 EP disclosed
US-10927092-B2 Glucosylceramide synthase inhibitors for the treatment of diseases BIOMARIN PHARM INC (US) 2021-02-23 US disclosed
US-20190263775-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARM INC (US) 2019-08-29 US disclosed
US-10227323-B2 Glucosylceramide synthase inhibitors for the treatment of diseases BIOMARIN PHARMACEUTICAL INC. (US) 2019-03-12 US disclosed
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2016-08-11 US disclosed
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2016-08-11 US disclosed
WO-2015042397-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2015-03-26 WO 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 (4 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-10927092-B2 Glucosylceramide synthase inhibitors for the treatment of diseases GBA1, UGCG, GBA2 PSEN1 876/4885PSEN2 1032/4885APH1B 981/4885
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 PSEN1 876/4885PSEN2 1032/4885APH1B 981/4885
US-10227323-B2 Glucosylceramide synthase inhibitors for the treatment of diseases GBA1, UGCG, GBA2 PSEN1 876/4885PSEN2 1032/4885APH1B 981/4885
US-20190263775-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 PSEN1 876/4885PSEN2 1032/4885APH1B 981/4885

“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.