SCHEMBL16595205

SCHEMBL16595205

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.60
PIM2 Q9P1W9 1/20 0.60
HRH3 Q9Y5N1 4/20 0.47
NPSR1 Q6W5P4 2/20 0.42
ADAMTS4 O75173 3/20 0.41
MMP1 P03956 3/20 0.41
MMP2 P08253 3/20 0.41
MMP3 P08254 3/20 0.41
MMP7 P09237 3/20 0.41
MMP9 P14780 3/20 0.41
MMP13 P45452 3/20 0.41
MMP14 P50281 3/20 0.41
ADAMTS5 Q9UNA0 3/20 0.41
MMP12 P39900 1/20 0.41
FFAR1 O14842 1/20 0.40
ADAM17 P78536 2/20 0.40
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 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
SCHEMBL5221997 0.87 PIM1 (0.63) PIM1PIM2HRH3NPSR1CA12
SCHEMBL16595648 0.83 HDAC3 (0.45) NPSR1CA12CA2CA3CA4
SCHEMBL17996501 0.82 TAS1R3 (0.53) MMP2MMP9ADAM17CA12CA2
SCHEMBL16595260 0.80 MAOB (0.52) ADAMTS4ADAMTS5KDM4EMAOBNPC1
SCHEMBL7637224 0.78 RAB9A (0.56) MAPTKDM4EMAOBMEN1NPC1
SCHEMBL16595203 0.77 PIM1 (0.50) PIM1PIM2HRH3NPSR1FFAR1
SCHEMBL17161458 0.77 PIM1 (0.68) PIM1PIM2HRH3ADAMTS4MMP1
SCHEMBL15714288 0.76 HDAC4 (0.49) PIM1PIM2HRH3CA12CA2
SCHEMBL5219750 0.76 PIM1 (1.00) PIM1PIM2HRH3ADAMTS4MMP1
SCHEMBL17179766 0.76 PIM1 (0.77) PIM1PIM2HRH3ADAMTS4MMP1

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-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
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 PIM1 3801/4885PIM2 3725/4885HRH3 2899/4885
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 PIM1 3801/4885PIM2 3725/4885HRH3 2899/4885
US-10227323-B2 Glucosylceramide synthase inhibitors for the treatment of diseases GBA1, UGCG, GBA2 PIM1 3801/4885PIM2 3725/4885HRH3 2899/4885
US-20190263775-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 PIM1 3801/4885PIM2 3725/4885HRH3 2899/4885

“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.