SCHEMBL13381065

SCHEMBL13381065

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LGALS8 O00214 1/20 0.39
▸ PTPN2 P17706 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ MAG P20916 1/20 0.36
▸ LGALS9 O00182 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TACR2 P21452 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ GJB2 P29033 1/20 0.34
▸ LGALS3 P17931 3/20 0.33
▸ METAP2 P50579 2/20 0.33
▸ NT5E P21589 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33

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
SCHEMBL13381052 0.92 LMNA (0.45) LMNACYP2D6
SCHEMBL13381067 0.92 GJB2 (0.43) PTPN2PTPN1LMNATACR2GJB2
SCHEMBL13381064 0.87 NT5E (0.36) PTPN2PTPN1LMNAGJB2NT5E
SCHEMBL13381058 0.85 LMNA (0.41) LMNACYP2D6
SCHEMBL13381053 0.85 LMNA (0.38) LMNACYP2D6
SCHEMBL13381060 0.84 PTPN1 (0.47) PTPN2PTPN1BCHEGJB2NT5E
SCHEMBL13381070 0.81 NT5E (0.33) PTPN2PTPN1LMNAGJB2NT5E
SCHEMBL13381078 0.81 LGALS8 (0.35) LGALS8LGALS9LMNASLC6A2LGALS3
SCHEMBL13381069 0.81 TNF (0.35) LGALS8PTPN2PTPN1LMNAGJB2
SCHEMBL13381081 0.78 PTPN1 (0.38) PTPN2PTPN1LMNAGJB2CYP2D6

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 LGALS8 198/4885PTPN2 1229/4885PTPN1 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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