SCHEMBL22208002

SCHEMBL22208002

COC(=O)COc1ccc(CNc2ccc3c(c2)OCCO3)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ POLB P06746 1/20 0.59
▸ KDM4E B2RXH2 2/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ NPC1 O15118 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ GAA P10253 1/20 0.54
▸ MAPT P10636 4/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ LMNA P02545 2/20 0.53
▸ TSHR P16473 1/20 0.53
▸ MEN1 O00255 2/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ USP2 O75604 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ CASP1 P29466 1/20 0.51
▸ HTT P42858 1/20 0.51

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
SCHEMBL22208003 0.79 GAA (0.52) SMN1; SMN2POLBKDM4ENPC1KMT2A
SCHEMBL18912793 0.76 SMN1; SMN2 (1.00) SMN1; SMN2POLBNPC1KMT2ARAB9A
SCHEMBL5007270 0.75 KDM4E (0.66) KDM4ENPC1KMT2ARAB9AMAPT
SCHEMBL9337370 0.74 MAPT (0.56) SMN1; SMN2POLBKDM4ENPC1KMT2A
SCHEMBL22207982 0.74 FNIP1 (0.50) SMN1; SMN2KDM4EL3MBTL1NPC1KMT2A
SCHEMBL29245024 0.74 ALDH1A1 (0.69) SMN1; SMN2KDM4EL3MBTL1NPC1KMT2A
SCHEMBL11936083 0.74 GAA (0.68) SMN1; SMN2POLBKDM4EL3MBTL1NPC1
SCHEMBL5333927 0.73 GAA (0.72) SMN1; SMN2KDM4EL3MBTL1NPC1KMT2A
SCHEMBL9336882 0.72 NPC1 (0.62) SMN1; SMN2KDM4ENPC1KMT2ARAB9A
SCHEMBL19926744 0.72 SMN1; SMN2 (0.57) SMN1; SMN2KDM4ENPC1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3908306-A1 PHOSPHATASE BINDING COMPOUNDS AND METHODS OF USING SAME Yale University (US) 2021-11-17 — — EP disclosed
US-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same YALE UNIVERSITY 2020-08-27 — — US disclosed
US-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same YALE UNIVERSITY 2020-08-27 — — US disclosed
WO-2020146470-A1 Phosphatase Binding Compounds and Methods of Using Same YALE UNIVERSITY (US) 2020-07-16 — — WO 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-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same PPP5C, PPP4C, DUSP26 SMN1; SMN2 1455/4885POLB 2253/4885KDM4E 2696/4885

“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.

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