SCHEMBL18193301

SCHEMBL18193301

C[C@H]1[C@H](OCc2ccccc2)[C@H](O)CO[C@H]1C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.44
MTOR P42345 1/20 0.44
SLC6A2 P23975 1/20 0.41
BCHE P06276 4/20 0.40
MAPT P10636 2/20 0.40
CYP2C19 P33261 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRL1 P41146 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
SCHEMBL18193304 1.00 PDPK1 (0.44) PDPK1MTORSLC6A2BCHEMAPT
SCHEMBL20458777 0.90 PDPK1 (0.42) PDPK1MTORSLC6A2BCHEMAPT
SCHEMBL18385931 0.88 SLC6A2 (0.41) PDPK1MTORSLC6A2BCHEMAPT
SCHEMBL402682 0.86 PDPK1 (0.40) PDPK1MTORSLC6A2BCHEMAPT
SCHEMBL26879278 0.85 SLC6A2 (0.44) PDPK1MTORSLC6A2BCHEMAPT
SCHEMBL25909886 0.84 BCHE (0.46) PDPK1MTORSLC6A2BCHEMAPT
SCHEMBL12118229 0.83 SLC6A2 (0.42) PDPK1MTORSLC6A2BCHEMAPT
SCHEMBL20226452 0.79 BCHE (0.45) SLC6A2BCHEMAPTCYP2C19
SCHEMBL18193303 0.79 PDPK1 (0.41) PDPK1MTORSLC6A2BCHEMAPT
SCHEMBL1561047 0.79 SLC6A2 (0.45) PDPK1MTORSLC6A2BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170044102-A1 New Method for Preparing Isofagomine and Its Derivatives AMICUS THERAPEUTICS INC (US) 2017-02-16 US disclosed
US-9481700-B2 Method for preparing isofagomine and its derivatives AMICUS THERAPEUTICS, INC. (US) 2016-11-01 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-20170044102-A1 New Method for Preparing Isofagomine and Its Derivatives ALDOA, FBP1, GALE PDPK1 1226/4885MTOR 4320/4885SLC6A2 75/4885

“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.