SCHEMBL2804791

SCHEMBL2804791

N=C(OC1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)C(Cl)(Cl)Cl

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.57
PTPN1 P18031 10/20 0.48
CDC25B P30305 8/20 0.48
SSTR1 P30872 1/20 0.48
SSTR2 P30874 1/20 0.48
SSTR4 P31391 1/20 0.48
SSTR3 P32745 1/20 0.48
SSTR5 P35346 1/20 0.48
PTPN2 P17706 5/20 0.47
PTPN11 Q06124 5/20 0.47
PTPN6 P29350 4/20 0.47
HTR1A P08908 1/20 0.45
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
GJB2 P29033 1/20 0.42

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
SCHEMBL26447373 1.00 NT5E (0.57) NT5EPTPN1CDC25BSSTR1SSTR2
SCHEMBL10259814 1.00 NT5E (0.57) NT5EPTPN1CDC25BSSTR1SSTR2
SCHEMBL6895176 1.00 NT5E (0.57) NT5EPTPN1CDC25BSSTR1SSTR2
SCHEMBL2989107 1.00 NT5E (0.57) NT5EPTPN1CDC25BSSTR1SSTR2
SCHEMBL14616676 1.00 NT5E (0.57) NT5EPTPN1CDC25BSSTR1SSTR2
SCHEMBL19204220 1.00 NT5E (0.57) NT5EPTPN1CDC25BSSTR1SSTR2
SCHEMBL6574752 1.00 NT5E (0.57) NT5EPTPN1CDC25BSSTR1SSTR2
SCHEMBL13129824 1.00 NT5E (0.57) NT5EPTPN1CDC25BSSTR1SSTR2
SCHEMBL15975379 1.00 NT5E (0.57) NT5EPTPN1CDC25BSSTR1SSTR2
SCHEMBL2287945 1.00 NT5E (0.57) NT5EPTPN1CDC25BSSTR1SSTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10695319-B2 Glucose conjugates of triptolide, analogs and uses thereof THE JOHNS HOPKINS UNIVERSITY (US) 2020-06-30 US claimed
US-11692004-B2 Substituted pyrazole compound, preparation method therefor, pharmaceutical composition and medical use thereof JIANGSU VANGUARD PHARMACEUTICAL CO., LTD. (CN) 2023-07-04 US disclosed
WO-2020038279-A1 SUBSTITUTED PYRAZOLE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND USE THEREOF 天津谷堆生物医药科技有限公司 2020-02-27 WO disclosed
US-10087242-B2 Glycoconjugates and use thereof as vaccine against Shigella flexneri serotype 3a and X INSTITUT PASTEUR (FR) 2018-10-02 US disclosed
CN-104372052-A Method for preparing glucoside compounds by combination of chemical process and enzyme process UNIV HUAZHONG SCIENCE TECH 2015-02-25 CN disclosed
US-20150050282-A1 GLYCOCONJUGATES AND USE THEREOF AS VACCINE AGAINST SHIGELLA FLEXNERI SEROTYPE 3a AND X INSTITUT PASTEUR (FR) 2015-02-19 US disclosed
US-8815239-B2 Glycoconjugates and use thereof as vaccine against Shigella flexneri serotype 3a and X INSTITUT PASTEUR (FR) 2014-08-26 US disclosed
US-20100239584-A1 GLYCOCONJUGATES AND USE THEREOF AS VACCINE AGAINST SHIGELLA FLEXNERI SEROTYPE 3A AND X INSTITUT PASTEUR (FR) 2010-09-23 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 (5 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-10087242-B2 Glycoconjugates and use thereof as vaccine against Shigella flexneri serotype 3a and X ST3GAL3, SI, STT3A NT5E 2128/4885PTPN1 733/4885CDC25B 2851/4885
US-20100239584-A1 GLYCOCONJUGATES AND USE THEREOF AS VACCINE AGAINST SHIGELLA FLEXNERI SEROTYPE 3A AND X ST3GAL3, SI, STT3A NT5E 2128/4885PTPN1 733/4885CDC25B 2851/4885
US-20150050282-A1 GLYCOCONJUGATES AND USE THEREOF AS VACCINE AGAINST SHIGELLA FLEXNERI SEROTYPE 3a AND X ST3GAL3, SI, STT3A NT5E 2128/4885PTPN1 733/4885CDC25B 2851/4885
US-11692004-B2 Substituted pyrazole compound, preparation method therefor, pharmaceutical composition and medical use thereof FARS2, GOT2, HADHB NT5E 4320/4885PTPN1 4216/4885CDC25B 4088/4885
US-10695319-B2 Glucose conjugates of triptolide, analogs and uses thereof SLC2A8, SLC2A4, SLC2A1 NT5E 698/4885PTPN1 596/4885CDC25B 1449/4885

“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.