SCHEMBL16595248

SCHEMBL16595248

O=C(O)C(F)(F)c1cc2cc(Cl)ccc2o1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
GPR35 Q9HC97 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAOB P27338 3/20 0.48
KMT2A Q03164 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
HSD17B10 Q99714 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.42
ALOX5 P09917 1/20 0.42
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
BCAT1 P54687 2/20 0.40

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
SCHEMBL16595614 0.86 KDM4E (0.52) KDM4EGPR35ALDH1A1CYP1A2CYP2C9
SCHEMBL30272767 0.86 KDM4E (0.52) KDM4EGPR35ALDH1A1CYP1A2CYP2C9
SCHEMBL16595650 0.83 PIM1 (0.42) KDM4EALDH1A1KMT2ANPC1HSD17B10
SCHEMBL20799416 0.82 MAOB (0.46) KDM4EGPR35ALDH1A1CYP1A2CYP2C9
SCHEMBL16595195 0.81 PIM1 (0.63) KDM4EALDH1A1MAOBKMT2AHSD17B10
SCHEMBL17996539 0.81 MAOB (0.51) ALDH1A1MAOBPIM1PIM2
SCHEMBL16595201 0.81 PIM1 (0.55) GPR35ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL17996475 0.79 TP53 (0.44) KDM4EGPR35ALDH1A1CYP1A2CYP2C9
SCHEMBL16595609 0.79 FLT3 (0.49) KDM4EGPR35ALDH1A1CYP1A2MAOB
SCHEMBL16595964 0.78 NPC1 (0.46) KDM4EGPR35ALDH1A1CYP1A2CYP2C9

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 KDM4E 4557/4885GPR35 1792/4885ALDH1A1 1342/4885
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 KDM4E 4557/4885GPR35 1792/4885ALDH1A1 1342/4885
US-10227323-B2 Glucosylceramide synthase inhibitors for the treatment of diseases GBA1, UGCG, GBA2 KDM4E 4557/4885GPR35 1792/4885ALDH1A1 1342/4885
US-20190263775-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 KDM4E 4557/4885GPR35 1792/4885ALDH1A1 1342/4885

“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.