SCHEMBL16595337

SCHEMBL16595337

O=C(O)C(F)(F)c1ccc(-c2ccc(F)cn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
PTPN1 P18031 3/20 0.48
PTPN6 P29350 1/20 0.48
PTPN11 Q06124 1/20 0.48
BRS3 P32247 2/20 0.43
KCNH2 Q12809 2/20 0.43
PPARA Q07869 1/20 0.43
PTPN2 P17706 1/20 0.42
KIF11 P52732 1/20 0.40
LDHA P00338 2/20 0.39
DGAT1 O75907 3/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
GRB2 P62993 1/20 0.38
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38
GCK P35557 1/20 0.37
GCKR Q14397 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL16595794 0.91 NPC1 (0.54) NPC1RXFP1PTPN1PTPN6PTPN11
SCHEMBL16595068 0.79 BCL2L1 (0.52) NPC1PTPN1KIF11GRB2RAB9A
SCHEMBL3502057 0.78 RXFP1 (0.42) NPC1RXFP1PTPN1PTPN6PTPN11
SCHEMBL3823650 0.78 NPC1 (0.45) NPC1RXFP1PTPN1PTPN6PTPN11
SCHEMBL162450 0.77 KCNN4 (0.50) NPC1GRB2RAB9ASMN1; SMN2
SCHEMBL26571653 0.77 NPC1 (0.65) NPC1RXFP1PTPN1PTPN6PTPN11
SCHEMBL16595067 0.76 TRPV1 (0.57) PTPN1SMN1; SMN2
SCHEMBL3501759 0.76 NPC1 (0.59) NPC1RXFP1PTPN1PTPN6PTPN11
SCHEMBL13199251 0.75 GRB2 (0.52) KIF11GRB2KDM1A
SCHEMBL16595344 0.74 NPC1 (0.61) NPC1RXFP1PTPN1PTPN6PTPN11

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 NPC1 74/4885RXFP1 4460/4885PTPN1 4119/4885
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 NPC1 74/4885RXFP1 4460/4885PTPN1 4119/4885
US-10227323-B2 Glucosylceramide synthase inhibitors for the treatment of diseases GBA1, UGCG, GBA2 NPC1 74/4885RXFP1 4460/4885PTPN1 4119/4885
US-20190263775-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 NPC1 74/4885RXFP1 4460/4885PTPN1 4119/4885

“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.