SCHEMBL17635136

SCHEMBL17635136

CC(=O)OCC1OC(OC(=N)C(Cl)(Cl)Cl)C(N=[N+]=[N-])[C@@H](C)[C@@H]1O[C@@H]1OC(C)[C@@H](C)[C@@H](OCc2ccccc2)C1OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 2/20 0.38
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.36
PRKCA P17252 1/20 0.36
AKT1 P31749 1/20 0.36
PTK2 Q05397 1/20 0.36
PAX8 Q06710 1/20 0.35
CA12 O43570 9/20 0.34
CA1 P00915 9/20 0.34
CA2 P00918 9/20 0.34
CA9 Q16790 9/20 0.34
CA14 Q9ULX7 5/20 0.34

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
SCHEMBL17635137 0.95 CYP2D6 (0.37) CYP2D6ALDH1A1MAPK1LMNAKMT2A
SCHEMBL16656541 0.94 CYP2D6 (0.36) CYP2D6ALDH1A1MAPK1LMNAKMT2A
SCHEMBL18346652 0.94 CYP2D6 (0.36) CYP2D6ALDH1A1MAPK1LMNAKMT2A
SCHEMBL16656564 0.93 CYP2D6 (0.35) CYP2D6ALDH1A1MAPK1LMNAKMT2A
SCHEMBL16656565 0.93 CYP2D6 (0.35) CYP2D6ALDH1A1MAPK1LMNAKMT2A
SCHEMBL17549115 0.93 CYP2D6 (0.32) CYP2D6ALDH1A1MAPK1
SCHEMBL16418339 0.91 LMNA (0.35) CYP2D6ALDH1A1MAPK1LMNAKMT2A
SCHEMBL16843439 0.89 CYP2D6 (0.36) CYP2D6ALDH1A1MAPK1LMNAKMT2A
SCHEMBL18346604 0.89 CYP2D6 (0.35) CYP2D6ALDH1A1MAPK1LMNAKMT2A
SCHEMBL14877068 0.88 LMNA (0.45) CYP2D6ALDH1A1MAPK1LMNAKMT2A

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-9295730-B2 Conjugated molecules comprising a peptide derived from the CD4 receptor coupled to a polyanion for the treatment of AIDS INSTITUT PASTEUR (FR) 2016-03-29 US disclosed
US-20110105412-A1 CONJUGATED MOLECULES COMPRISING A PEPTIDE DERIVED FROM THE CD4 RECEPTOR COUPLED TO A POLYANION FOR THE TREATMENT OF AIDS UNIVERSITE PARIS-SUD (FR) 2011-05-05 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-20110105412-A1 CONJUGATED MOLECULES COMPRISING A PEPTIDE DERIVED FROM THE CD4 RECEPTOR COUPLED TO A POLYANION FOR THE TREATMENT OF AIDS CD4, CD40LG, CD40 CYP2D6 3956/4885ALDH1A1 3919/4885MAPK1 3782/4885

“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.