SCHEMBL402701

SCHEMBL402701

O=C(OCc1ccccc1)C1CCC[C@H](OCc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
GABRA1 P14867 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
AGTR2 P50052 2/20 0.44
GAA P10253 1/20 0.43
FABP7 O15540 1/20 0.43
FABP5 Q01469 1/20 0.43
HPGD P15428 2/20 0.42
USP2 O75604 1/20 0.42
FKBP1A P62942 3/20 0.42
CYP2C19 P33261 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL2771212 0.92 ALDH1A1 (0.48) TSHRGABRA1GABRG2GABRB3GABRA3
SCHEMBL15743128 0.88 TSHR (0.56) TSHRALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL15709938 0.88 TSHR (0.56) TSHRALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL15709940 0.88 TSHR (0.56) TSHRALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL13880006 0.88 TSHR (0.51) TSHRGABRA1GABRG2GABRB3GABRA3
SCHEMBL26704708 0.88 TSHR (0.51) TSHRGABRA1GABRG2GABRB3GABRA3
SCHEMBL402536 0.87 AGTR2 (0.49) ALDH1A1SMN1; SMN2NPC1RAB9AAGTR2
SCHEMBL6881658 0.87 AGTR2 (0.49) ALDH1A1SMN1; SMN2NPC1RAB9AAGTR2
SCHEMBL3664444 0.85 TSHR (0.58) TSHRALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6937744 0.84 TSHR (0.48) TSHRALDH1A1

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 TSHR 2387/4885GABRA1 3771/4885GABRG2 3849/4885
US-20070270354-A1 Azasugar derivatives, heparanase inhibitors, method for preparing same, compositions containing same, use thereof HPSE, HAAO, HEXD TSHR 2381/4885GABRA1 3801/4885GABRG2 3865/4885

“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.