SCHEMBL1136752

SCHEMBL1136752

CCCCCS(=O)(=O)C1CCc2ccccc2O1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.44
PSEN1 P49768 3/20 0.39
PSEN2 P49810 3/20 0.39
APH1B Q8WW43 3/20 0.39
NCSTN Q92542 3/20 0.39
APH1A Q96BI3 3/20 0.39
PSENEN Q9NZ42 3/20 0.39
MMP8 P22894 2/20 0.35
MMP3 P08254 1/20 0.35
SIGMAR1 Q99720 3/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34

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
SCHEMBL1081939 0.78 HPGD (0.47) CA2
SCHEMBL1081936 0.76 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6464770 0.73 CA2 (0.49) CA2SIGMAR1HTR1AADRA2AADRA2B
SCHEMBL6591026 0.73 CA2 (0.56) CA2SIGMAR1HTR1AADRA2AADRA2B
SCHEMBL4672085 0.73 CA2 (0.49) CA2SIGMAR1HTR1AADRA2AADRA2B
SCHEMBL3641960 0.73 CYP1A2 (0.51) CA2SIGMAR1HTR1AADRA2AADRA2B
SCHEMBL12064816 0.71 CYP1A2 (0.54) CA2SIGMAR1HTR1AADRA2AADRA2B
SCHEMBL1365698 0.71 CA2 (0.47) CA2PSEN1PSEN2APH1BNCSTN
SCHEMBL8510380 0.71 CA2 (0.50) CA2SIGMAR1HTR1AADRA2AADRA2B
Acetic Acid SCHEMBL27984668 0.70 CA2 (0.44) CA2SIGMAR1HTR1AADRA2AADRA2B

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 13 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-7754759-B2 Arylsulfonyl chromans as 5-HT6 inhibitors ROCHE PALO ALTO LLC (US) 2010-07-13 US disclosed
US-7754759-B2 Arylsulfonyl chromans as 5-HT6 inhibitors ROCHE PALO ALTO LLC (US) 2010-07-13 US disclosed
US-7528250-B2 Chroman derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2009-05-05 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
CN-101300246-A Arylsulfonylchromans as 5-HT6 inhibitors indolylmaleimide derivatives as protein kinase inhibitors HOFFMANN LA ROCHE (CH) 2008-11-05 CN disclosed
CN-101300246-A Arylsulfonylchromans as 5-HT6 inhibitors indolylmaleimide derivatives as protein kinase inhibitors HOFFMANN LA ROCHE (CH) 2008-11-05 CN disclosed
EP-1831203-A1 CHROMAN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CNS DISORDERS 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-20070099908-A1 Arylsulfonyl chromans as 5-HT6 inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2007-05-03 US disclosed
US-20060148820-A1 Chroman derivatives and uses thereof ROCHE PALO ALTO LLC 2006-07-06 US disclosed
WO-2006066756-A1 CHROMAN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CNS DISORDERS 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-20060148820-A1 Chroman derivatives and uses thereof RB1, RECQL, CCNY CA2 2409/4885PSEN1 2988/4885PSEN2 3495/4885
US-20070099908-A1 Arylsulfonyl chromans as 5-HT6 inhibitors HTR6, HTR1F, HTR1A CA2 4390/4885PSEN1 2038/4885PSEN2 2294/4885

“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.