SCHEMBL13498634

SCHEMBL13498634

CCC(=O)OCC1O[C@@H](OCC2O[C@@H]([S+]([O-])c3ccccc3)C(OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)C(OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 10/20 0.45
▸ CDC25B P30305 8/20 0.45
▸ SSTR1 P30872 1/20 0.44
▸ SSTR2 P30874 1/20 0.44
▸ SSTR4 P31391 1/20 0.44
▸ SSTR3 P32745 1/20 0.44
▸ SSTR5 P35346 1/20 0.44
▸ PTPN2 P17706 6/20 0.43
▸ PTPN11 Q06124 5/20 0.43
▸ PTPN6 P29350 4/20 0.43
▸ NT5E P21589 1/20 0.43
▸ TACR1 P25103 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ TACR2 P21452 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
SCHEMBL13498630 0.94 TACR2 (0.43) PTPN1CDC25BSSTR1SSTR2SSTR4
SCHEMBL13499131 0.81 TNF (0.40) PTPN1CDC25BSSTR1SSTR2SSTR4
SCHEMBL13498633 0.80 SSTR1 (0.43) PTPN1CDC25BSSTR1SSTR2SSTR4
SCHEMBL13498632 0.80 SSTR1 (0.43) PTPN1CDC25BSSTR1SSTR2SSTR4
SCHEMBL38652098 0.80 PTPN1 (0.49) PTPN1CDC25BSSTR1SSTR2SSTR4
SCHEMBL4951310 0.78 HTR1A (0.47) PTPN1CDC25BSSTR1SSTR2SSTR4
SCHEMBL8701595 0.78 HTR1A (0.47) PTPN1CDC25BSSTR1SSTR2SSTR4
SCHEMBL22750896 0.76 PTPN1 (0.48) PTPN1CDC25BSSTR1SSTR2SSTR4
SCHEMBL990249 0.76 PTPN1 (0.48) PTPN1CDC25BSSTR1SSTR2SSTR4
SCHEMBL29410624 0.76 PTPN1 (0.52) PTPN1CDC25BSSTR1SSTR2SSTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041869-A1 IONIC LIQUID SUPPORTED SYNTHESIS MCGILL UNIVERSITY (CA) 2010-02-18 — — 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-20100041869-A1 IONIC LIQUID SUPPORTED SYNTHESIS IGF2BP1, IGF2BP2, IGF2BP3 PTPN1 4341/4885CDC25B 2667/4885SSTR1 1795/4885

“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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