SCHEMBL22490856

SCHEMBL22490856

COc1c(C(=O)C[C@]2(O)[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)ccc(O)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TNF P01375 1/20 0.36
IL6 P05231 1/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
DYRK1A Q13627 1/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
RECQL P46063 1/20 0.33
SLC28A3 Q9HAS3 2/20 0.32
SLC5A1 P13866 2/20 0.32
SLC5A2 P31639 2/20 0.32
MGAM O43451 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA13 Q8N1Q1 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
SCHEMBL22490897 0.75 SLC5A2 (0.31) SLC5A1SLC5A2
SCHEMBL22490853 0.75 NPC1 (0.39) NPC1RAB9ATNFIL6LMNA
SCHEMBL28854038 0.68 TNF (0.42) NPC1RAB9ATNFIL6LMNA
SCHEMBL27544371 0.64 TDP1 (0.51) LMNAPOLBKDM4ECA1
SCHEMBL29217047 0.62 ALDH1A1 (0.35) LMNATSHRGAACA12CA1
SCHEMBL17982748 0.61 ALDH1A1 (0.34) LMNATSHRGAACA12CA1
SCHEMBL8509956 0.61 ALDH1A1 (0.34) LMNATSHRGAACA12CA1
SCHEMBL8013317 0.61 ALDH1A1 (0.34) LMNATSHRGAACA12CA1
SCHEMBL3620661 0.61 ALDH1A1 (0.34) LMNATSHRGAACA12CA1
SCHEMBL10325520 0.59 ALDH1A1 (0.35) LMNATSHRGAACA12CA1

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-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
EP-3717463-A1 NOVEL CONJUGATES OF A PHARMACEUTICAL AGENT AND A MOIETY CAPABLE OF BINDING TO A GLUCOSE SENSING PROTEIN Sanofi (FR) 2020-10-07 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-20210170033-A1 NOVEL CONJUGATES OF A PHARMACEUTICAL AGENT AND A MOIETY CAPABLE OF BINDING TO A GLUCOSE SENSING PROTEIN GPR119, SLC2A8, SLC2A4 NPC1 1840/4885RAB9A 1043/4885TNF 4667/4885

“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.