SCHEMBL23486282

SCHEMBL23486282

COc1cc(OCc2cccc(NC(=O)CCCCCCC(=O)NCCCCCC(=O)OC(C)(C)C)c2)c(Cl)cc1C(=O)N[C@H]1[C@@H](OC)O[C@H](CO)[C@@H](O)[C@@H]1O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.36
EGFR P00533 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
ERBB2 P04626 1/20 0.34
ABCC8 Q09428 1/20 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
SCHEMBL23488383 1.00 HDAC8 (0.36) HDAC8EGFRHDAC3HDAC4HDAC1
SCHEMBL23488605 0.96 HDAC8 (0.38) HDAC8EGFRHDAC3HDAC4HDAC1
SCHEMBL23488245 0.96 HDAC8 (0.38) HDAC8EGFRHDAC3HDAC4HDAC1
SCHEMBL23488372 0.94 EGFR (0.37) HDAC8EGFRHDAC3HDAC4HDAC1
SCHEMBL23488255 0.93 CYP3A4 (0.35) CA1CA2CA9ABCC8
SCHEMBL23488730 0.93 CYP3A4 (0.35) CA1CA2CA9ABCC8
SCHEMBL23488251 0.92 CA2 (0.38) CA1CA2CA9
SCHEMBL23488631 0.91 KLK7 (0.36) HDAC8EGFRHDAC3HDAC4HDAC1
SCHEMBL23488243 0.90 CA2 (0.36) CA1CA2CA9ABCC8
SCHEMBL23488194 0.90 CA2 (0.36) CA1CA2CA9ABCC8

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-20210170033-A1 NOVEL CONJUGATES OF A PHARMACEUTICAL AGENT AND A MOIETY CAPABLE OF BINDING TO A GLUCOSE SENSING PROTEIN SANOFI (FR) 2021-06-10 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-20210170033-A1 NOVEL CONJUGATES OF A PHARMACEUTICAL AGENT AND A MOIETY CAPABLE OF BINDING TO A GLUCOSE SENSING PROTEIN GPR119, SLC2A8, SLC2A4 HDAC8 3905/4885EGFR 1469/4885HDAC3 4081/4885

“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.