SCHEMBL404506

SCHEMBL404506

CN1CC(C(=O)O)C[C@@H](O)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
ALDH1A1 P00352 1/20 0.37
APLNR P35414 1/20 0.33
MAPT P10636 1/20 0.33
PIK3CD O00329 1/20 0.32
POLB P06746 1/20 0.32
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 2/20 0.32
S1PR4 O95977 1/20 0.32
S1PR5 Q9H228 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CYP2C19 P33261 1/20 0.31
GABRR1 P24046 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL23913133 1.00 ATM (0.42) ATMALDH1A1APLNRMAPTPIK3CD
SCHEMBL12440677 0.86 ALDH1A1 (0.41) ATMALDH1A1APLNRMAPTPOLB
SCHEMBL5909381 0.86 ALDH1A1 (0.41) ATMALDH1A1APLNRMAPTPOLB
SCHEMBL689995 0.81
Hydrochloric Acid SCHEMBL14677609 0.79
SCHEMBL89463 0.78 ALDH1A1 (0.37) ATMALDH1A1APLNRMAPTPOLB
SCHEMBL18566781 0.78 BRD4 (0.44) ALDH1A1MAPTSMN1; SMN2CYP2C19
SCHEMBL8320708 0.75
SCHEMBL12439734 0.75
SCHEMBL854100 0.75

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-20120065153-A1 AZASUGAR DERIVATIVES, HEPARANASE INHIBITORS, METHOD FOR PREPARING SAME, COMPOSITIONS CONTAINING SAME, USE THEREOF SANOFI-AVENTIS (FR) 2012-03-15 US disclosed
US-20070270354-A1 Azasugar derivatives, heparanase inhibitors, method for preparing same, compositions containing same, use thereof SANOFI-AVENTIS (FR) 2007-11-22 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 (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-20120065153-A1 AZASUGAR DERIVATIVES, HEPARANASE INHIBITORS, METHOD FOR PREPARING SAME, COMPOSITIONS CONTAINING SAME, USE THEREOF HPSE, HAAO, HEXD ATM 4797/4885ALDH1A1 371/4885APLNR 2426/4885
US-20070270354-A1 Azasugar derivatives, heparanase inhibitors, method for preparing same, compositions containing same, use thereof HPSE, HAAO, HEXD ATM 4797/4885ALDH1A1 364/4885APLNR 2409/4885

“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.