SCHEMBL402536

SCHEMBL402536

O=C(O)C1CCC[C@H](OCc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 2/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 4/20 0.46
GAA P10253 1/20 0.46
USP2 O75604 1/20 0.45
HPGD P15428 1/20 0.45
EPHX2 P34913 1/20 0.43
AKR1C3 P42330 1/20 0.41
AKR1C1 Q04828 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41

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
SCHEMBL6881658 1.00 AGTR2 (0.49) AGTR2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL402701 0.87 TSHR (0.49) AGTR2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL871908 0.85 NPC1 (0.49) AGTR2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL582677 0.85 NPC1 (0.49) AGTR2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8347290 0.85 NPC1 (0.49) AGTR2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL29081313 0.84 ALDH1A1 (0.50) AGTR2ALDH1A1EPHX2GRIN2DGRIN3B
Bicarbonate SCHEMBL5176713 0.84 OPRM1 (0.50) AGTR2ALDH1A1USP2HPGDEPHX2
SCHEMBL19515095 0.81 ALDH1A1 (0.57) AGTR2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2278661 0.81 ALDH1A1 (0.57) AGTR2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL29064882 0.81 ALDH1A1 (0.50) AGTR2SMN1; SMN2ALDH1A1EPHX2GRIN2D

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 AGTR2 1842/4885NPC1 3249/4885RAB9A 2576/4885
US-20070270354-A1 Azasugar derivatives, heparanase inhibitors, method for preparing same, compositions containing same, use thereof HPSE, HAAO, HEXD AGTR2 1804/4885NPC1 3205/4885RAB9A 2582/4885

“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.