SCHEMBL16595641

SCHEMBL16595641

O=C(O)C(F)(F)c1nc2cc(Cl)ccc2s1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.54
HDAC6 Q9UBN7 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
IDO1 P14902 1/20 0.44
ALOX5 P09917 3/20 0.41
CASR P41180 2/20 0.41
AKR1B1 P15121 1/20 0.41
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 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
SCHEMBL16595646 0.80 PPARA (0.44) PPARAHDAC6SMN1; SMN2NPSR1LOXL2
SCHEMBL9891490 0.74 SMN1; SMN2 (0.56) PPARAHDAC6SMN1; SMN2NPSR1LOXL2
SCHEMBL16595606 0.74 PPARA (0.42) PPARAHDAC6SMN1; SMN2AKR1B1
SCHEMBL3643594 0.73 HDAC6 (0.57) PPARAHDAC6SMN1; SMN2NPSR1LOXL2
SCHEMBL30515646 0.73 HDAC6 (0.57) PPARAHDAC6SMN1; SMN2NPSR1LOXL2
SCHEMBL3621185 0.72 HDAC6 (0.56) PPARAHDAC6SMN1; SMN2NPSR1LOXL2
Propionic Acid SCHEMBL10811452 0.71 PPARA (0.49) PPARAHDAC6SMN1; SMN2NPSR1LOXL2
SCHEMBL24962521 0.71 SMN1; SMN2 (0.51) PPARAHDAC6SMN1; SMN2NPSR1LOXL2
SCHEMBL11228986 0.70 SMN1; SMN2 (0.54) PPARAHDAC6SMN1; SMN2NPSR1LOXL2
SCHEMBL20312953 0.70 SMN1; SMN2 (0.50) PPARAHDAC6SMN1; SMN2NPSR1LOXL2

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 5 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
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 (2 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 PPARA 2895/4885HDAC6 236/4885SMN1; SMN2 1269/4885
US-20190263775-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 PPARA 2895/4885HDAC6 236/4885SMN1; SMN2 1269/4885

“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.