SCHEMBL1136558

SCHEMBL1136558

CCCCCS(=O)(=O)C1Cc2ccccc2OC1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.40
PSEN2 P49810 3/20 0.40
APH1B Q8WW43 3/20 0.40
NCSTN Q92542 3/20 0.40
APH1A Q96BI3 3/20 0.40
PSENEN Q9NZ42 3/20 0.40
MMP8 P22894 2/20 0.37
MMP3 P08254 1/20 0.37
PPARG P37231 1/20 0.36
MIF P14174 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PRKCG P05129 1/20 0.32
PRKCB P05771 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCH P24723 1/20 0.32
PRKCE Q02156 1/20 0.32
PRKCQ Q04759 1/20 0.32
PRKCD Q05655 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
SCHEMBL325273 0.77 ACHE (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28230084 0.75 PPARG (0.38) PPARGMIFMEN1KMT2APRKCD
SCHEMBL1081936 0.75 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7077595 0.74 MAOB (0.38) PPARGMEN1KMT2A
SCHEMBL7131700 0.74 KLK5 (0.40) PPARGMEN1KMT2A
SCHEMBL3041569 0.74 KMT2A (0.43) MIFMEN1KMT2A
SCHEMBL3113825 0.74 GRM2 (0.39) PPARGMIFPRKCGPRKCBPRKCA
SCHEMBL29219069 0.72 PPARG (0.42) PPARG
SCHEMBL18601179 0.70 KMT2A (0.36) MEN1KMT2A
SCHEMBL10736656 0.70 PPARG (0.38) PPARGPRKCGPRKCBPRKCAPRKCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027104-B1 ARYLSULFONYLCHROMANS AS 5-HT6 INHIBITORS HOFFMANN LA ROCHE (CH) 2011-02-23 EP disclosed
US-7759389-B2 Chroman derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2010-07-20 US disclosed
US-7754759-B2 Arylsulfonyl chromans as 5-HT6 inhibitors ROCHE PALO ALTO LLC (US) 2010-07-13 US disclosed
EP-2027104-A1 ARYLSULFONYLCHROMANS AS 5-HT6 INHIBITORS INDOLYLMALEIMIDE DERIVATIVES AS PROTEIN KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2009-02-25 EP disclosed
EP-1831191-B1 CHROMAN DERIVATIVES AND THEIR USE AS 5-HT RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2008-05-21 EP disclosed
EP-1831191-A1 CHROMAN DERIVATIVES AND THEIR USE AS 5-HT RECEPTOR LIGANDS F. Hoffmann-Roche AG (CH) 2007-09-12 EP disclosed
WO-2007051735-A1 ARYLSULFONYLCHROMANS AS 5-HT6 INHIBITORS INDOLYLMALEIMIDE DERIVATIVES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-05-10 WO disclosed
US-20070099908-A1 Arylsulfonyl chromans as 5-HT6 inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2007-05-03 US disclosed
US-20060148888-A1 Chroman derivatives and uses thereof ROCHE PALO ALTO LLC 2006-07-06 US disclosed
WO-2006066746-A1 CHROMAN DERIVATIVES AND THEIR USE AS 5-HT RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 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 (2 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-20070099908-A1 Arylsulfonyl chromans as 5-HT6 inhibitors HTR6, HTR1F, HTR1A PSEN1 2038/4885PSEN2 2294/4885APH1B 4488/4885
US-20060148888-A1 Chroman derivatives and uses thereof RB1, RECQL, CCNY PSEN1 2988/4885PSEN2 3495/4885APH1B 3874/4885

“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.