SCHEMBL25414374

SCHEMBL25414374

C=CCO[C@H]1O[C@H](COC(=O)OCc2ccccc2)[C@@H](OP(=O)(OCc2ccccc2)OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1NC(=O)OCC(Cl)(Cl)Cl

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ NT5E P21589 1/20 0.32
▸ MCHR1 Q99705 2/20 0.31
▸ PDPK1 O15530 2/20 0.31
▸ MTOR P42345 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ SSTR3 P32745 2/20 0.30
▸ SSTR5 P35346 2/20 0.30

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
SCHEMBL2796377 0.93 NT5E (0.39) LMNANT5E
SCHEMBL2796378 0.93 NT5E (0.39) LMNANT5E
SCHEMBL25413683 0.90 NT5E (0.36) LMNAKMT2APOLBNT5EMCHR1
SCHEMBL25413680 0.90 NT5E (0.36) LMNAKMT2APOLBNT5EMCHR1
SCHEMBL25414613 0.87 PDPK1 (0.34) LMNAKMT2APOLBNT5EPDPK1
SCHEMBL25414267 0.87 MCHR1 (0.39) MCHR1SSTR3SSTR5
SCHEMBL2798123 0.82 TACR2 (0.39) LMNAPOLBNT5EMCHR1L3MBTL1
SCHEMBL2798128 0.82 TACR2 (0.39) LMNAPOLBNT5EMCHR1L3MBTL1
SCHEMBL13231369 0.82 TACR2 (0.39) LMNAPOLBNT5EMCHR1L3MBTL1
SCHEMBL7141594 0.82 LMNA (0.31) LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240002425-A1 NOVEL AMINOALKYL GLUCOSAMINIDE 4-PHOSPHATE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2024-01-04 — — US disclosed
EP-4245763-A1 NOVEL AMINOALKYL GLUCOSAMINIDE 4-PHOSPHATE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2023-09-20 — — EP 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-20240002425-A1 NOVEL AMINOALKYL GLUCOSAMINIDE 4-PHOSPHATE DERIVATIVE TLR4, TLR5, TLR9 LMNA 4111/4885KMT2A 1667/4885POLB 4248/4885

“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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