SCHEMBL13949943

SCHEMBL13949943

CC(=O)NC1C(OC(C)=O)CC(O)(C(=O)OCc2ccccc2)OC1[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ METAP2 P50579 2/20 0.32
▸ BCHE P06276 1/20 0.32
▸ CTSB P07858 3/20 0.31
▸ CTSS P25774 3/20 0.31
▸ CTSK P43235 3/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CTSL P07711 2/20 0.31
▸ POLB P06746 1/20 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
SCHEMBL30481196 0.89 LMNA (0.34) LMNAKMT2AALDH1A1METAP2BCHE
SCHEMBL25702536 0.89 LMNA (0.34) LMNAKMT2AALDH1A1METAP2BCHE
SCHEMBL30481194 0.88 LMNA (0.31) LMNAALDH1A1BCHE
SCHEMBL25701985 0.88 LMNA (0.31) LMNAALDH1A1BCHE
SCHEMBL24418659 0.87 NANP (0.33) —
SCHEMBL3698732 0.87 NANP (0.33) —
SCHEMBL12455852 0.87 NANP (0.33) —
SCHEMBL19249317 0.87 NANP (0.33) —
SCHEMBL29258956 0.87 NANP (0.33) —
SCHEMBL30946516 0.87 NANP (0.33) —

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-20090036386-A1 Heterobifunctional compounds for selectin inhibition GLYCOMIMETICS, INC (US) 2009-02-05 — — 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-20090036386-A1 Heterobifunctional compounds for selectin inhibition SELE, SELL, BSG LMNA 2268/4885KMT2A 2610/4885ALDH1A1 592/4885

“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.

Send feedback