Sugi Predict

Sugi Predict / Compounds / SCHEMBL4363858

SCHEMBL4363858

SCHEMBL4363858

Cc1ccc(S(=O)(=O)OC[C@H]2COc3ccc([N+](=O)[O-])c(C=O)c3O2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 1/20 0.39
▸ WDR77 Q9BQA1 1/20 0.39
▸ MAPT P10636 8/20 0.38
▸ LMNA P02545 6/20 0.38
▸ PKM P14618 3/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ALDH1A1 P00352 7/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ TXNRD1 Q16881 1/20 0.33

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
SCHEMBL4358721 1.00 PRMT5 (0.39) PRMT5WDR77MAPTLMNAPKM
SCHEMBL4360348 0.91 MAPT (0.37) PRMT5WDR77MAPTLMNAPKM
SCHEMBL4357745 0.91 MAPT (0.37) PRMT5WDR77MAPTLMNAPKM
SCHEMBL4360354 0.91 MAPT (0.37) PRMT5WDR77MAPTLMNAPKM
SCHEMBL4357747 0.91 MAPT (0.37) PRMT5WDR77MAPTLMNAPKM
SCHEMBL4362808 0.91 MAPT (0.38) PRMT5WDR77MAPTLMNAPKM
SCHEMBL4367913 0.91 MAPT (0.38) PRMT5WDR77MAPTLMNAPKM
SCHEMBL5236401 0.91 MAPT (0.38) PRMT5WDR77MAPTLMNAPKM
SCHEMBL4363822 0.91 MAPT (0.38) PRMT5WDR77MAPTLMNAPKM
SCHEMBL13927895 0.91 MAPT (0.38) 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 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042895-A1 Antidepressant Piperidine Derivatives of Heterocycle-Fused Benzodioxans WYETH (US) 2009-02-12 — — US disclosed
US-7479500-B2 Antidepressant piperidine derivatives of heterocyclefused benzodioxans WYETH (US) 2009-01-20 — — US disclosed
US-7419986-B2 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2008-09-02 — — US disclosed
US-7335666-B2 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2008-02-26 — — US disclosed
EP-1537122-B9 ANTIDEPRESSANT INDOLEALKYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXAN METHYLAMINES WYETH CORP (US) 2007-10-31 — — EP disclosed
EP-1537122-B1 ANTIDEPRESSANT INDOLEALKYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXAN METHYLAMINES WYETH CORP (US) 2007-08-22 — — EP disclosed
US-20070004702-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2007-01-04 — — US disclosed
US-20060293301-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2006-12-28 — — US disclosed
US-20060264437-A1 Azabicyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino [2,3-F]quinoline as 5-HT1A antagonists WYETH 2006-11-23 — — US disclosed
US-7135479-B2 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2006-11-14 — — US disclosed
WO-2002088144-A2 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO[2,3-f]QUINOXALINE WYETH (US) 2002-11-07 — — WO disclosed
WO-2002088134-A2 ANTIPSYCHOTIC AMINOMETHYL DERIVATIVES OF 1,3,7,8-TETRAHYDRO-6,9-DIOXA-1,3-DIAZA-CYCLOPENTA[A]-NAPHTHALEN-2-ONE WYETH (US) 2002-11-07 — — WO disclosed
WO-2002088130-A1 AZABICYCLYLMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO-[2,3-F]QUINOLINE AS 5-HT1A ANTAGONISTS WYETH (US) 2002-11-07 — — WO disclosed
WO-2002088129-A1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO[2,3-F]QUINAZOLINE WYETH (US) 2002-11-07 — — WO disclosed
WO-2002088141-A2 ANTIPSYCHOTIC AMINOMETHYL DERIVATIVES OF 7,8-DIHYDRO-2,6,9-TRIOXA-3-AZA-CYCLOPENTA[a]NAPHTHALENE WYETH (US) 2002-11-07 — — WO disclosed
WO-2002088146-A2 ANTIDEPRESSANT INDOLETETRAHYDROPYRIDINE DERIVATIVES OF 2,3-DIHYDRO-7H-[1,4]DIOXINO[2,3-e]INDOLE WYETH (US) 2002-11-07 — — WO disclosed
US-20020165245-A1 ANTIDEPRESSANT AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO[2,3-F]QUINOLINE WYETH 2002-11-07 — — US disclosed
WO-2002085912-A1 ANTIPSYCHOTIC AMINOMETHYL DERIVATIVES OF 7,8-DIHYDRO-3H-6,9-DIOXA-1,3-DIAZA-CYCLOPENTA[a]NAPHTHALENE WYETH (US) 2002-10-31 — — WO disclosed
US-6458802-B1 ANTIDEPRESSANTS, OBSESSIVE COMPULSIVE DISORDER, DIETETICS WYETH 2002-10-01 — — US disclosed
WO-2002072587-A1 ANTIDEPRESSANT AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO[2,3-F]QUINOLINE WYETH (US) 2002-09-19 — — 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 (5 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-20060293301-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans CRH, HTR5A, DBH PRMT5 1304/4885WDR77 653/4885MAPT 2773/4885
US-20060264437-A1 Azabicyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino [2,3-F]quinoline as 5-HT1A antagonists HTR2C, HTR5A, HTR1B PRMT5 779/4885WDR77 2299/4885MAPT 928/4885
US-20020165245-A1 ANTIDEPRESSANT AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO[2,3-F]QUINOLINE CYP19A1, DBH, DDT PRMT5 1447/4885WDR77 1116/4885MAPT 3364/4885
US-20070004702-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans CRH, CYP19A1, HTR5A PRMT5 1037/4885WDR77 620/4885MAPT 3070/4885
US-20090042895-A1 Antidepressant Piperidine Derivatives of Heterocycle-Fused Benzodioxans HTR5A, OPRD1, CRH PRMT5 1361/4885WDR77 465/4885MAPT 2292/4885

“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.