SCHEMBL17996536

SCHEMBL17996536

C[C@H](CO)C(O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.46
ALDH1A1 P00352 2/20 0.46
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
NOS2 P35228 2/20 0.40
CYP17A1 P05093 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
EPHX1 P07099 1/20 0.40
HRH3 Q9Y5N1 4/20 0.39
TOP2A P11388 1/20 0.39
TOP2B Q02880 1/20 0.39
TRPV3 Q8NET8 1/20 0.38
LMNA P02545 1/20 0.38
SCN9A Q15858 2/20 0.38
MAPT P10636 1/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL17996561 0.87 PDE2A (0.50) PDE2AALDH1A1NOS3NOS1NOS2
SCHEMBL1721415 0.82 PDE2A (0.51) PDE2AALDH1A1CYP17A1CYP2C9CYP2C19
SCHEMBL28615738 0.82 PDE2A (0.51) PDE2AALDH1A1CYP17A1CYP2C9CYP2C19
SCHEMBL5698984 0.79 SCN9A (0.49) PDE2AALDH1A1TOP2ATOP2BSCN9A
SCHEMBL5698985 0.79 SCN9A (0.49) PDE2AALDH1A1TOP2ATOP2BSCN9A
SCHEMBL18291828 0.78 PDE2A (0.54) PDE2AALDH1A1EPHX1TOP2ATOP2B
SCHEMBL1046494 0.78 PDE2A (0.54) PDE2AALDH1A1EPHX1TOP2ATOP2B
SCHEMBL17996515 0.78 UGCG (0.52) ALDH1A1CYP2C19HRH3LMNA
SCHEMBL18101801 0.78 MEN1 (0.40) CYP17A1CYP2C9CYP2C19LMNA
SCHEMBL28729244 0.75 PDE2A (0.42) PDE2AALDH1A1LMNAMAPTEPHX2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2016-08-11 US 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 (1 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-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 PDE2A 594/4885ALDH1A1 1342/4885NOS3 1365/4885

“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.