SCHEMBL1136638

SCHEMBL1136638

Cc1ccc(S(=O)(=O)OC[C@H]2CCc3ccc(S(=O)(=O)c4ccccc4)cc3O2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.50
HTR6 P50406 5/20 0.45
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL4295393 1.00 CA2 (0.50) CA2HTR6ALDH1A1CYP3A4CYP2D6
SCHEMBL1136635 1.00 CA2 (0.50) CA2HTR6ALDH1A1CYP3A4CYP2D6
SCHEMBL12864006 0.89 CA2 (0.52) CA2HTR6HTR2CHTR2B
SCHEMBL1136648 0.86 HTR6 (0.48) CA2HTR6HTR2CHTR2B
SCHEMBL1018563 0.86 CA2 (0.48) CA2ALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL4970970 0.85 CA2 (0.68) CA2ALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL7346088 0.85 CA2 (0.68) CA2ALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL6348557 0.85 CA2 (0.68) CA2ALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL1043201 0.83 CA2 (0.47) CA2ALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL13230301 0.80 CA2 (0.51) CA2ALDH1A1CYP3A4CYP2D6TSHR

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-2027104-B1 ARYLSULFONYLCHROMANS AS 5-HT6 INHIBITORS HOFFMANN LA ROCHE (CH) 2011-02-23 EP disclosed
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
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

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-20070099908-A1 Arylsulfonyl chromans as 5-HT6 inhibitors HTR6, HTR1F, HTR1A CA2 4390/4885HTR6 1/4885ALDH1A1 1927/4885

“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.