SCHEMBL19184870

SCHEMBL19184870

CC(=O)OC1OC(COCc2ccccc2)C(N)C(OCc2ccccc2)C1OC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.51
▸ GJB2 P29033 2/20 0.48
▸ PTPN1 P18031 6/20 0.46
▸ CDC25B P30305 6/20 0.46
▸ LMNA P02545 1/20 0.44
▸ SSTR1 P30872 1/20 0.43
▸ SSTR2 P30874 1/20 0.43
▸ SSTR4 P31391 1/20 0.43
▸ SSTR3 P32745 1/20 0.43
▸ SSTR5 P35346 1/20 0.43
▸ PTPN2 P17706 2/20 0.42
▸ PTPN6 P29350 2/20 0.42
▸ PTPN11 Q06124 2/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ TACR2 P21452 2/20 0.42
▸ SELP P16109 1/20 0.42
▸ GJA1 P17302 1/20 0.41

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
SCHEMBL24371822 0.91 NT5E (0.60) NT5EPTPN1CDC25BLMNASSTR1
SCHEMBL7215148 0.91 NT5E (0.60) NT5EPTPN1CDC25BLMNASSTR1
SCHEMBL7215147 0.91 NT5E (0.60) NT5EPTPN1CDC25BLMNASSTR1
SCHEMBL7174275 0.90 NT5E (0.59) NT5EPTPN1CDC25BLMNASSTR1
SCHEMBL8227941 0.90 NT5E (0.59) NT5EPTPN1CDC25BLMNASSTR1
SCHEMBL4185190 0.90 NT5E (0.59) NT5EPTPN1CDC25BLMNASSTR1
SCHEMBL7174279 0.90 NT5E (0.59) NT5EPTPN1CDC25BLMNASSTR1
SCHEMBL8222985 0.90 NT5E (0.59) NT5EPTPN1CDC25BLMNASSTR1
SCHEMBL8227939 0.90 NT5E (0.59) NT5EPTPN1CDC25BLMNASSTR1
SCHEMBL18744566 0.90 NT5E (0.59) NT5EPTPN1CDC25BLMNASSTR1

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
EP-3357931-B1 METHODS OF SYNTHESIS OF TRITERPENE PROSAPOGENINS AND TRITERPENE SAPONINS SLOAN KETTERING INST CANCER RES (US) 2020-07-22 — — EP disclosed
US-20170283450-A1 TRITERPENE SAPONINS, METHODS OF SYNTHESIS AND USES THEREOF MEMORIAL SLOAN-KETTERING INST FOR CANCER RES (US) 2017-10-05 — — US disclosed
US-9718850-B2 Triterpene saponins, methods of synthesis and uses thereof MEMORIAL SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2017-08-01 — — 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-20170283450-A1 TRITERPENE SAPONINS, METHODS OF SYNTHESIS AND USES THEREOF LSS, CYP51A1, TLR7 NT5E 2902/4885GJB2 4372/4885PTPN1 1489/4885

“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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