SCHEMBL403013

SCHEMBL403013

c1ccc(COCC2CCC[C@H](OCc3ccccc3)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.45
CTSB P07858 2/20 0.45
CTSK P43235 2/20 0.45
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
TSHR P16473 1/20 0.41
NAAA Q02083 2/20 0.41
AGTR2 P50052 2/20 0.41
OPRM1 P35372 2/20 0.40
OPRL1 P41146 2/20 0.40
DPP4 P27487 1/20 0.40
TMEM97 Q5BJF2 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
PRMT8 Q9NR22 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL6649338 0.84 TSHR (0.54) CTSLCTSBCTSKTSHRNAAA
SCHEMBL24449471 0.81 OPRM1 (0.43) CTSLCTSBCTSKNAAAAGTR2
SCHEMBL24448813 0.81 OPRM1 (0.43) CTSLCTSBCTSKNAAAAGTR2
SCHEMBL4677170 0.80 TSHR (0.54) CTSLCTSBCTSKTSHRNAAA
SCHEMBL7279522 0.80 CTSL (0.46) CTSLCTSBCTSKTSHRNAAA
SCHEMBL7280676 0.80 CTSL (0.46) CTSLCTSBCTSKTSHRNAAA
SCHEMBL27196374 0.80 CTSL (0.46) CTSLCTSBCTSKTSHRNAAA
SCHEMBL3660170 0.80 OPRM1 (0.56) CTSLCTSBCTSKBCHETSHR
SCHEMBL24448814 0.79 OPRM1 (0.42) CTSLCTSBCTSKNAAAAGTR2
SCHEMBL2701945 0.79 CTSL (0.53) CTSLCTSBCTSKTSHRNAAA

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 CTSL 158/4885CTSB 1095/4885CTSK 523/4885
US-20070270354-A1 Azasugar derivatives, heparanase inhibitors, method for preparing same, compositions containing same, use thereof HPSE, HAAO, HEXD CTSL 160/4885CTSB 1100/4885CTSK 530/4885

“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.