SCHEMBL4183102

SCHEMBL4183102

Cc1ccc(S(=O)(=O)O)c(C)c1C1COc2ccc3ncccc3c2O1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 2/20 0.33
COMT P21964 2/20 0.33
CYP1B1 Q16678 1/20 0.33
ALOX15 P16050 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ERN1 O75460 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PIK3C3 Q8NEB9 1/20 0.30
IL1B P01584 1/20 0.30
ACVR1 Q04771 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
SCHEMBL4184052 0.86
SCHEMBL4186946 0.85
SCHEMBL6081617 0.82 ALDH1A1 (0.34) ALDH1A1LMNAHTTSMN1; SMN2CYP1A2
SCHEMBL4335129 0.76 NR3C1 (0.37) ALDH1A1LMNAHTTSMN1; SMN2CYP1A2
SCHEMBL4183106 0.71 NR3C1 (0.41) ALDH1A1LMNAHTTSMN1; SMN2CYP1A2
SCHEMBL5444167 0.69 MEN1 (0.38) HTTSMN1; SMN2ERN1MEN1KMT2A
SCHEMBL5523537 0.69 MAPT (0.40) LMNAHTTSMN1; SMN2CYP1A2CYP1B1
SCHEMBL4335133 0.67 LMNA (0.39) ALDH1A1LMNAHTTSMN1; SMN2CYP1A2
SCHEMBL5524400 0.67 MAPT (0.40) LMNAHTTCYP1A2CYP1B1ALOX15
SCHEMBL4538637 0.67 LTA4H (0.40) LMNAHTTCYP1A2CYP1B1HIF1A

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 47 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-20090042874-A1 ANTIDEPRESSANT HETEROARYL 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
WO-2008150848-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2008-12-11 WO 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
EP-1392697-A1 ANTIDEPRESSANT AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO 2,3-F]QUINOLINE Wyeth (US) 2004-03-03 EP disclosed
US-6599915-B2 5HT1A antagonist limit the negative feedback of autoceptors seen with serotonic reuptake inhibitors WYETH 2003-07-29 US disclosed
US-20030045542-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]quinoline WYETH 2003-03-06 US disclosed
US-20020193366-A1 Azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]-quinoline as 5-HT1A antagonists WYETH 2002-12-19 US disclosed
US-20020183322-A1 Azabicyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]quinoline as 5-HT1A antagonists WYETH 2002-12-05 US 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
US-20020165245-A1 ANTIDEPRESSANT AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO[2,3-F]QUINOLINE WYETH 2002-11-07 US disclosed
WO-2002088132-A1 AZAHETEROCYCLYLMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO[2,3-F]QUINOLINE AS 5-HT1AANTAGONISTS WYETH (US) 2002-11-07 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 (8 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-20030045542-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]quinoline CYP19A1, DDT, DRD2 ALDH1A1 408/4885LMNA 2730/4885HTT 2383/4885
US-20020183322-A1 Azabicyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]quinoline as 5-HT1A antagonists HTR1B, HTR1A, HTR2C ALDH1A1 325/4885LMNA 3121/4885HTT 146/4885
US-20060293301-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans CRH, HTR5A, DBH ALDH1A1 822/4885LMNA 2334/4885HTT 2100/4885
US-20020165245-A1 ANTIDEPRESSANT AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO[2,3-F]QUINOLINE CYP19A1, DBH, DDT ALDH1A1 268/4885LMNA 2549/4885HTT 2267/4885
US-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS HTR5A, CRH, CYP17A1 ALDH1A1 643/4885LMNA 1414/4885HTT 980/4885
US-20070004702-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans CRH, CYP19A1, HTR5A ALDH1A1 640/4885LMNA 1663/4885HTT 2025/4885
US-20020193366-A1 Azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]-quinoline as 5-HT1A antagonists HTR2C, HTR1A, HTR3B ALDH1A1 309/4885LMNA 4663/4885HTT 699/4885
US-20090042895-A1 Antidepressant Piperidine Derivatives of Heterocycle-Fused Benzodioxans HTR5A, OPRD1, CRH ALDH1A1 394/4885LMNA 1546/4885HTT 935/4885

“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.