SCHEMBL181127

SCHEMBL181127

C=CCOC1OC(CO)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.47
SSTR1 P30872 3/20 0.42
SSTR2 P30874 3/20 0.42
SSTR4 P31391 3/20 0.42
SSTR3 P32745 3/20 0.42
SSTR5 P35346 3/20 0.42
PTPN1 P18031 5/20 0.42
CDC25B P30305 5/20 0.42
TACR2 P21452 1/20 0.41
BCHE P06276 1/20 0.40
PTPN2 P17706 2/20 0.40
PTPN6 P29350 2/20 0.40
PTPN11 Q06124 2/20 0.40
PDPK1 O15530 1/20 0.40
MTOR P42345 1/20 0.40

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
SCHEMBL181126 1.00 SLC6A2 (0.47) SLC6A2SSTR1SSTR2SSTR4SSTR3
SCHEMBL181077 1.00 SLC6A2 (0.47) SLC6A2SSTR1SSTR2SSTR4SSTR3
SCHEMBL16581477 1.00 SLC6A2 (0.47) SLC6A2SSTR1SSTR2SSTR4SSTR3
SCHEMBL6929599 1.00 SLC6A2 (0.47) SLC6A2SSTR1SSTR2SSTR4SSTR3
SCHEMBL2172329 1.00 SLC6A2 (0.47) SLC6A2SSTR1SSTR2SSTR4SSTR3
SCHEMBL9853879 0.96 SLC6A2 (0.47) SLC6A2SSTR1SSTR2SSTR4SSTR3
SCHEMBL9853878 0.96 SLC6A2 (0.47) SLC6A2SSTR1SSTR2SSTR4SSTR3
SCHEMBL1776774 0.95 SLC6A2 (0.47) SLC6A2SSTR1SSTR2SSTR4SSTR3
SCHEMBL13224920 0.90 SLC6A2 (0.56) SLC6A2BCHE
SCHEMBL2536430 0.90 SLC6A2 (0.56) SLC6A2BCHE

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334687-B9 DIOXA-BICYCLO[3.2.1.]OCTANE-2,3,4-TRIOL DERIVATIVES PFIZER (US) 2012-08-08 EP disclosed
EP-2334687-B1 DIOXA-BICYCLO[3.2.1.]OCTANE-2,3,4-TRIOL DERIVATIVES PFIZER (US) 2012-01-04 EP disclosed
US-7989602-B2 having biological activity similar to PIM (acyl glycerol phosphatidylinositol manno-oligosacccharide) activity; asthma, allergic rhinitis, dermatitis, psoriasis, inflammatory bowel disease including Crohn's disease and ulcerative colitis, rheumatoid arthritis, multiple sclerosis, diabetes, systemic lupus THE MALAGHAN INSTITUTE OF MEDICAL RESEARCH (NZ) 2011-08-02 US disclosed
US-20100202971-A1 COMPOUND HAVING TUMOR-RESIDENT PROPERTY OHTA KEISUKE 2010-08-12 US disclosed
US-20080249037-A1 Synthetic Molecules Having Immune Activity UNIVERSITY OF OTAGO (NZ) 2008-10-09 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-20100202971-A1 COMPOUND HAVING TUMOR-RESIDENT PROPERTY HRH3, HRH4, HNRNPH3 SLC6A2 2975/4885SSTR1 417/4885SSTR2 529/4885
US-20080249037-A1 Synthetic Molecules Having Immune Activity ALG1, PAG1, SIGLEC7 SLC6A2 4876/4885SSTR1 4558/4885SSTR2 4332/4885

“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.