SCHEMBL13381064

SCHEMBL13381064

CCC1(C(=O)OC)O[C@@H](O[C@@H]2C(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O[C@H](OC(C)=O)C(OCc3ccccc3)[C@H]2OC(C)=O)C(OC)[C@@H](OC)[C@@H]1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.36
▸ LMNA P02545 2/20 0.34
▸ PTPN1 P18031 5/20 0.34
▸ PTPN2 P17706 3/20 0.34
▸ CDC25B P30305 1/20 0.33
▸ GJB2 P29033 1/20 0.33
▸ CYP2D6 P10635 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ SELP P16109 2/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ SSTR1 P30872 1/20 0.32
▸ SSTR2 P30874 1/20 0.32
▸ SSTR4 P31391 1/20 0.32
▸ SSTR3 P32745 1/20 0.32
▸ SSTR5 P35346 1/20 0.32
▸ CA12 O43570 3/20 0.31
▸ CA1 P00915 3/20 0.31
▸ CA2 P00918 3/20 0.31

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
SCHEMBL13381069 0.94 TNF (0.35) NT5ELMNAPTPN1PTPN2CDC25B
SCHEMBL13381070 0.94 NT5E (0.33) NT5ELMNAPTPN1PTPN2CDC25B
SCHEMBL13381067 0.88 GJB2 (0.43) NT5ELMNAPTPN1PTPN2CDC25B
SCHEMBL13381052 0.88 LMNA (0.45) LMNACYP2D6ALDH1A1MAPK1KMT2A
SCHEMBL13381065 0.87 LGALS8 (0.39) NT5ELMNAPTPN1PTPN2GJB2
SCHEMBL13381053 0.84 LMNA (0.38) LMNACYP2D6ALDH1A1MAPK1KMT2A
SCHEMBL13381058 0.82 LMNA (0.41) LMNACYP2D6ALDH1A1MAPK1KMT2A
SCHEMBL13381060 0.81 PTPN1 (0.47) NT5EPTPN1PTPN2CDC25BGJB2
SCHEMBL13381081 0.75 PTPN1 (0.38) LMNAPTPN1PTPN2CDC25BGJB2
SCHEMBL13381063 0.74 PTPN1 (0.48) NT5EPTPN1PTPN2CDC25BGJB2

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-20100081708-A1 ANTICOAGULANT COMPOUNDS ENDOTIS PHARMA (FR) 2010-04-01 — — 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-20100081708-A1 ANTICOAGULANT COMPOUNDS SERPINC1, F2, FUT5 NT5E 395/4885LMNA 2211/4885PTPN1 1529/4885

“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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