SCHEMBL3149448

SCHEMBL3149448

CC(=O)c1cc(S(=O)(=O)c2ccccc2)ccc1OCC1CO1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
LMNA P02545 4/20 0.51
PKM P14618 2/20 0.51
GAA P10253 1/20 0.51
GLA P06280 1/20 0.44
CHRM2 P08172 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM3 P20309 1/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.40
HTR6 P50406 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL3149456 1.00 ALDH1A1 (0.51) ALDH1A1LMNAPKMGAAGLA
SCHEMBL3154963 1.00 ALDH1A1 (0.51) ALDH1A1LMNAPKMGAAGLA
SCHEMBL3144836 0.89 PKM (0.44) ALDH1A1LMNAPKMGAAGLA
SCHEMBL3144829 0.89 PKM (0.44) ALDH1A1LMNAPKMGAAGLA
SCHEMBL3154839 0.89 PKM (0.44) ALDH1A1LMNAPKMGAAGLA
SCHEMBL8046984 0.82 ALDH1A1 (0.57) ALDH1A1LMNAPKMGAAGLA
SCHEMBL1073288 0.81 PKM (0.42) ALDH1A1LMNAPKMGAAGLA
SCHEMBL1073285 0.81 PKM (0.42) ALDH1A1LMNAPKMGAAGLA
SCHEMBL3148800 0.79 L3MBTL1 (0.56) ALDH1A1LMNAMAPTKMT2APOLB
SCHEMBL7281360 0.78 ALDH1A1 (0.61) ALDH1A1LMNAGLAMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1748995-B1 ARYLSULFONYL BENZODIOXANES USEFUL FOR MODULATION THE 5-HT6 RECEPTOR, THE 5-HT2ARECEPTOR OR BOTH HOFFMANN LA ROCHE (CH) 2010-02-24 EP disclosed
US-7368567-B2 Arylsulfonyl benzodioxanes, benzoxazines and benzothiazines as 5-HT6 antagonists ROCHE PALO ALTO LLC (US) 2008-05-06 US disclosed
US-7368567-B2 Arylsulfonyl benzodioxanes, benzoxazines and benzothiazines as 5-HT6 antagonists ROCHE PALO ALTO LLC (US) 2008-05-06 US disclosed
US-7368567-B2 Arylsulfonyl benzodioxanes, benzoxazines and benzothiazines as 5-HT6 antagonists ROCHE PALO ALTO LLC (US) 2008-05-06 US disclosed
US-20050250943-A1 Arylsulfonyl benzodioxanes, benzoxazines and benzothiazines as 5-HT6 antagonists ROCHE PALO ALTO LLC 2005-11-10 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-20050250943-A1 Arylsulfonyl benzodioxanes, benzoxazines and benzothiazines as 5-HT6 antagonists HTR6, HTR7, HTR1F ALDH1A1 1319/4885LMNA 1731/4885PKM 1448/4885

“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.