SCHEMBL16595708

SCHEMBL16595708

O=C(O)C(F)(F)C1Cc2ccccc2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.39
MAPT P10636 2/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
GAA P10253 1/20 0.38
CES1 P23141 2/20 0.38
GRM7 Q14831 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
FABP7 O15540 1/20 0.35
FABP5 Q01469 1/20 0.35
MMP3 P08254 1/20 0.34
MMP8 P22894 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
SCHEMBL16595779 0.80 PSEN1 (0.39) KEAP1PSEN1PSEN2APH1BNCSTN
SCHEMBL16595274 0.79 PNMT (0.45) PNMTSMN1; SMN2PSEN1PSEN2APH1B
SCHEMBL17996474 0.78 KCNN4 (0.42) PNMTMAPTGRM7MTNR1AMTNR1B
SCHEMBL16595179 0.77 PTGS2 (0.33)
SCHEMBL7680929 0.76 GRM7 (0.40) MAPTKEAP1NFE2L2GAAGRM7
Trifluoroacetic Acid SCHEMBL1788968 0.74 PLAU (0.47) PNMTMAPTCES1ALDH1A1
SCHEMBL16595251 0.73 HDAC1 (0.33) SMN1; SMN2
SCHEMBL20799404 0.69 PNMT (0.44) PNMTPSEN1PSEN2APH1BNCSTN
SCHEMBL10062425 0.69 PLAU (0.46) KEAP1NFE2L2MTNR1AMTNR1B
SCHEMBL1411355 0.68 KEAP1 (0.46) KEAP1NFE2L2

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 7 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-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 (3 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 PNMT 2496/4885MAPT 2871/4885KEAP1 1025/4885
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 PNMT 2496/4885MAPT 2871/4885KEAP1 1025/4885
US-20190263775-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 PNMT 2496/4885MAPT 2871/4885KEAP1 1025/4885

“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.