Sugi Predict

Sugi Predict / Compounds / SCHEMBL1015813

SCHEMBL1015813

SCHEMBL1015813

Cc1cc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1C1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ SFRP1 Q8N474 5/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ GPR119 Q8TDV5 5/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ WNT3 P56703 2/20 0.40
▸ STS P08842 3/20 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
SCHEMBL1014844 0.87 STS (0.53) ALDH1A1KDM4EGPR119PDE4BSTS
SCHEMBL12954783 0.85 GPR119 (0.46) SFRP1GPR119PDE4BWNT3STS
SCHEMBL27393884 0.78 GPR119 (0.53) LMNAMAPTKDM4EGPR119PDE4B
SCHEMBL1013398 0.76 PDE4B (0.48) MAPTKDM4EGPR119PDE4B
SCHEMBL1015479 0.76 USP30 (0.49) MAPTKDM4EGPR119PDE4B
SCHEMBL30962613 0.76 NR1H2 (0.49) ALDH1A1MAPTKDM4EGPR119PDE4B
SCHEMBL13230095 0.75 GPR119 (0.41) GPR119PDE4BSTS
SCHEMBL31406365 0.75 LMNA (0.53) ALDH1A1LMNAMAPTKDM4EPOLB
SCHEMBL30990586 0.75 MAPT (0.47) ALDH1A1LMNAMAPTSFRP1GPR119
SCHEMBL6364180 0.75 ALDH1A1 (0.54) ALDH1A1LMNAMAPTKDM4EGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081890-B1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS HOFFMANN LA ROCHE (CH) 2011-01-12 — — EP disclosed
EP-2081890-B1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS HOFFMANN LA ROCHE (CH) 2011-01-12 — — EP disclosed
US-7776910-B2 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors ROCHE PALO ALTO LLC (US) 2010-08-17 — — US disclosed
US-7776910-B2 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors ROCHE PALO ALTO LLC (US) 2010-08-17 — — US disclosed
EP-2081890-A1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS F. Hoffmann-Roche AG (CH) 2009-07-29 — — EP disclosed
US-20080167361-A1 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors ROCHE PALO ALTO LLC 2008-07-10 — — US disclosed
US-20080167361-A1 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors ROCHE PALO ALTO LLC 2008-07-10 — — US disclosed
WO-2008055847-A1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-15 — — WO disclosed
WO-2008055847-A1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-15 — — 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 (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-20080167361-A1 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors HTR6, HTR1B, HTR1F ALDH1A1 619/4885LMNA 2713/4885MAPT 3552/4885

“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.