SCHEMBL2606633

SCHEMBL2606633

CCCCOCC1O[C@H](OC[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](O)[C@H](O)CC)C(OCCCC)C(OCCCC)[C@H]1OCCCC

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CA2 P00918 4/20 0.35
▸ CA1 P00915 3/20 0.35
▸ SELP P16109 5/20 0.35
▸ PLA2G2C Q5R387 1/20 0.35
▸ CA9 Q16790 3/20 0.33
▸ CA12 O43570 2/20 0.33
▸ CA7 P43166 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ CA14 Q9ULX7 1/20 0.31
▸ SSTR1 P30872 1/20 0.31
▸ SSTR2 P30874 1/20 0.31
▸ SSTR4 P31391 1/20 0.31
▸ SSTR3 P32745 1/20 0.31
▸ SSTR5 P35346 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
SCHEMBL10063829 0.91 FBP1 (0.35) ALDH1A1SELPTSHRSSTR1SSTR2
SCHEMBL2606625 0.87 SELP (0.35) ALDH1A1SELPTSHRSSTR1SSTR2
SCHEMBL2606623 0.83 SELP (0.43) ALDH1A1CA2CA1SELPCA9
SCHEMBL2605156 0.81 SELP (0.47) CA2CA1SELPCA9SSTR1
SCHEMBL16151874 0.80 GJB2 (0.36) SELPSSTR1SSTR2SSTR4SSTR3
SCHEMBL12228122 0.79 SELP (0.33) HPGDSELPPLA2G2CSSTR1SSTR2
SCHEMBL14478816 0.79 GJB2 (0.34) SELPSSTR1SSTR2SSTR4SSTR3
SCHEMBL12228229 0.78 ENPP2 (0.43) SELP
SCHEMBL12228221 0.77 SELP (0.43) SELP
SCHEMBL2605162 0.73 SELP (0.45) CA2CA1SELPCA9SSTR1

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-8163705-B2 Glycolipid and use thereof RIKEN (JP) 2012-04-24 — — US disclosed
US-20090221516-A1 NOVEL GLYCOLIPID AND USE THEREOF RIKEN (JP) 2009-09-03 — — 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-20090221516-A1 NOVEL GLYCOLIPID AND USE THEREOF IL4, IL2, IL5 ALDH1A1 963/4885KDM4E 1089/4885HPGD 1094/4885

“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.

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