SCHEMBL6007557

SCHEMBL6007557

CC(=O)NC1COCCC1O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.35
CHRM1 P11229 5/20 0.34
PSEN1 P49768 3/20 0.34
PSEN2 P49810 3/20 0.34
APH1B Q8WW43 3/20 0.34
NCSTN Q92542 3/20 0.34
APH1A Q96BI3 3/20 0.34
PSENEN Q9NZ42 3/20 0.34
PIP5K1C O60331 1/20 0.33
PIK3CA P42336 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ATM Q13315 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PIK3CG P48736 1/20 0.32

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
SCHEMBL23130862 1.00 OGA (0.35) OGACHRM1PSEN1PSEN2APH1B
SCHEMBL8236656 0.89 PSEN1 (0.36) OGAPSEN1PSEN2APH1BNCSTN
SCHEMBL21413643 0.85 CHRM1 (0.38) OGACHRM1PSEN1PSEN2APH1B
SCHEMBL16668056 0.82 CHRM1 (0.33) CHRM1
SCHEMBL9930747 0.82 CHRM1 (0.33) CHRM1
SCHEMBL15932501 0.82 OGA (0.38) OGAPSEN1PSEN2APH1BNCSTN
SCHEMBL24015540 0.82 OGA (0.38) OGAPSEN1PSEN2APH1BNCSTN
SCHEMBL15932504 0.82 OGA (0.38) OGAPSEN1PSEN2APH1BNCSTN
SCHEMBL18072523 0.81 CHRM1 (0.33) CHRM1
SCHEMBL19755661 0.80 CHRM1 (0.33) CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10596272-B2 Vaccines against Streptococcus pneumoniae serotype 5 MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2020-03-24 US disclosed
US-20130184229-A1 HETEROBIFUNCTIONAL INHIBITORS OF E-SELECTINS AND CXCR4 CHEMOKINE RECEPTORS GLYCOMIMETICS, INC. (US) 2013-07-18 US disclosed
US-20130184229-A1 HETEROBIFUNCTIONAL INHIBITORS OF E-SELECTINS AND CXCR4 CHEMOKINE RECEPTORS GLYCOMIMETICS, INC. (US) 2013-07-18 US disclosed
US-8410066-B2 Heterobifunctional inhibitors of E-selectins and CXCR4 chemokine receptors GLYCOMIMETICS, INC. (US) 2013-04-02 US disclosed
US-8410066-B2 Heterobifunctional inhibitors of E-selectins and CXCR4 chemokine receptors GLYCOMIMETICS, INC. (US) 2013-04-02 US disclosed
WO-2012061662-A9 GLYCOMIMETIC-PEPTIDOMIMETIC INHIBITORS OF E-SELECTINS AND CXCR4 CHEMOKINE RECEPTORS GLYCOMIMETICS, INC. (US) 2012-12-06 WO disclosed
WO-2012061662-A1 GLYCOMIMETIC-PEPTIDOMIMETIC INHIBITORS OF E-SELECTINS AND CXCR4 CHEMOKINE RECEPTORS GLYCOMIMETICS, INC. (US) 2012-05-10 WO disclosed
WO-2010126888-A1 HETEROBIFUNCTIONAL INHIBITORS OF E-SELECTINS AND CXCR4 CHEMOKINE RECEPTORS GLYCOMIMETICS, INC. (US) 2010-11-04 WO disclosed
US-20100279965-A1 HETEROBIFUNCTIONAL INHIBITORS OF E-SELECTINS AND CXCR4 CHEMOKINE RECEPTORS GLYCOMIMETICS, INC. (US) 2010-11-04 US disclosed
US-20100279965-A1 HETEROBIFUNCTIONAL INHIBITORS OF E-SELECTINS AND CXCR4 CHEMOKINE RECEPTORS GLYCOMIMETICS, INC. (US) 2010-11-04 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 (3 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-20130184229-A1 HETEROBIFUNCTIONAL INHIBITORS OF E-SELECTINS AND CXCR4 CHEMOKINE RECEPTORS CXCL12, CXCR4, SELE OGA 4388/4885CHRM1 2529/4885PSEN1 3216/4885
US-20100279965-A1 HETEROBIFUNCTIONAL INHIBITORS OF E-SELECTINS AND CXCR4 CHEMOKINE RECEPTORS CXCL12, CXCR4, SELE OGA 4388/4885CHRM1 2529/4885PSEN1 3216/4885
US-10596272-B2 Vaccines against Streptococcus pneumoniae serotype 5 FUT5, SPAG5, IL5 OGA 947/4885CHRM1 1867/4885PSEN1 1536/4885

“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.