SCHEMBL8223158

SCHEMBL8223158

Cc1ccc(S(=O)(=O)OCC2COc3ccc([N+](=O)[O-])c(CC#N)c3O2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
MAPT P10636 8/20 0.35
LMNA P02545 6/20 0.35
PKM P14618 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 5/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 2/20 0.32
CA2 P00918 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL13481958 1.00 PRMT5 (0.36) PRMT5WDR77MAPTLMNAPKM
SCHEMBL6367075 0.87 PRMT5 (0.37) PRMT5WDR77MAPTLMNAPKM
SCHEMBL4369825 0.86 PRMT5 (0.36) PRMT5WDR77MAPTLMNAPKM
SCHEMBL5957059 0.86 MAPT (0.37) PRMT5WDR77MAPTLMNAPKM
SCHEMBL7396212 0.86 MAPT (0.37) PRMT5WDR77MAPTLMNAPKM
SCHEMBL4363287 0.86 PRMT5 (0.36) PRMT5WDR77MAPTLMNAPKM
SCHEMBL5957072 0.85 PRMT5 (0.36) PRMT5WDR77MAPTLMNAPKM
SCHEMBL4357751 0.85 PRMT5 (0.36) PRMT5WDR77MAPTLMNAPKM
SCHEMBL4375214 0.85 PRMT5 (0.36) PRMT5WDR77MAPTLMNAPKM
SCHEMBL6629047 0.84 MAPT (0.36) PRMT5WDR77MAPTLMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046771-B1 SYNTHESIS OF A COMPOUND WHICH IS SUITABLE AS INTERMEDIATE IN THE SYNTHESIS OF OXINDOLEDIOXANE DERIVATIVES WYETH LLC (US) 2012-07-11 EP disclosed
US-7662979-B2 cyanation; dopamine autoreceptor agonists and partial agonists at postsynaptic dopamine D2 receptor; for treating dopaminergic disorders such as schizophrenia, schizoaffective disorder, Parkinson's disease, Tourette's syndrome, hyperprolactinemia, and drug addiction WYETH (US) 2010-02-16 US disclosed
US-7662979-B2 cyanation; dopamine autoreceptor agonists and partial agonists at postsynaptic dopamine D2 receptor; for treating dopaminergic disorders such as schizophrenia, schizoaffective disorder, Parkinson's disease, Tourette's syndrome, hyperprolactinemia, and drug addiction WYETH (US) 2010-02-16 US disclosed
US-20070293686-A1 Oxindoledioxans, synthesis thereof, and intermediates thereto WYETH (US) 2007-12-20 US disclosed
US-20070293686-A1 Oxindoledioxans, synthesis thereof, and intermediates thereto WYETH (US) 2007-12-20 US disclosed
WO-2007139998-A2 SYNTHESIS OF A COMPOUND WHICH IS A SUITABLE INTERMEDIATE IN THE SYNTHESIS OF OXINDOLEDIOXANE DERIVATIVES WYETH (US) 2007-12-06 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-20070293686-A1 Oxindoledioxans, synthesis thereof, and intermediates thereto HTR5A, OPRL1, SLC6A3 PRMT5 2599/4885WDR77 1679/4885MAPT 579/4885

“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.