SCHEMBL12202059

SCHEMBL12202059

CCCCCCCCCCCCCCOc1ccc(CCCCC(=O)N[C@@H](COC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)[C@H](O)[C@H](O)CCCCC)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SELP P16109 6/20 0.51
▸ ENPP2 Q13822 2/20 0.45
▸ PTPN1 P18031 2/20 0.40
▸ CDC25B P30305 1/20 0.40
▸ TACR1 P25103 1/20 0.39
▸ LPAR1 Q92633 2/20 0.39
▸ LPAR3 Q9UBY5 2/20 0.39
▸ SSTR1 P30872 1/20 0.39
▸ SSTR2 P30874 1/20 0.39
▸ SSTR4 P31391 1/20 0.39
▸ SSTR3 P32745 1/20 0.39
▸ SSTR5 P35346 1/20 0.39
▸ PTPN2 P17706 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
SCHEMBL12202057 1.00 SELP (0.51) SELPENPP2PTPN1CDC25BTACR1
SCHEMBL20019528 0.96 SELP (0.49) SELPENPP2PTPN1CDC25BTACR1
SCHEMBL12202044 0.94 SELP (0.54) SELPPTPN1CDC25BPTPN2
SCHEMBL12202058 0.93 SELP (0.52) SELPPTPN1CDC25BPTPN2
SCHEMBL12202043 0.90 SELP (0.52) SELPPTPN1CDC25BPTPN2
SCHEMBL12202046 0.89 SELP (0.48) SELPPTPN1CDC25BPTPN2
SCHEMBL12227936 0.89 SELP (0.46) SELPENPP2TACR1SSTR1SSTR2
SCHEMBL12202053 0.88 SELP (0.49) SELPPTPN1CDC25BPTPN2
SCHEMBL20019579 0.87 SELP (0.59) SELPENPP2PTPN1CDC25BSSTR1
SCHEMBL12202051 0.86 SELP (0.47) SELPPTPN1CDC25BPTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034908-B2 Glycolipids and synthetic method thereof as well as their synthetic intermediates, and synthetic method thereof JAPAN AS REPRESENTED BY PRESIDENT OF NATIONAL CENTER OF NEUROLOGY AND PSYCHIATRY (JP) 2011-10-11 — — US disclosed
US-20100210828-A1 NEW GLYCOLIPIDS AND SYNTHETIC METHOD THEREOF AS WELL AS THEIR SYNTHETIC INTERMEDIATES, AND SYNTHETIC METHOD THEREOF JAPAN AS REPRESENTED BY THE PRESIDENT OF NATIONAL CENTER OF NEUROLOGY AND PSYCHIATRY (JP) 2010-08-19 — — US disclosed
US-7732583-B2 Glycolipids and synthetic method thereof as well as their synthetic intermediates, and synthetic intermediates, and synthetic method thereof JAPAN AS REPRESENTED BY PRESIDENT OF NATIONAL CENTER OF NEUROLOGY AND PSYCHIATRY (JP) 2010-06-08 — — 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-20100210828-A1 NEW GLYCOLIPIDS AND SYNTHETIC METHOD THEREOF AS WELL AS THEIR SYNTHETIC INTERMEDIATES, AND SYNTHETIC METHOD THEREOF SGMS1, UGCG, SGMS2 SELP 1712/4885ENPP2 90/4885PTPN1 3627/4885

“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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