SCHEMBL1015250

SCHEMBL1015250

O=S(=O)(c1ccccc1)n1cc(Br)c2cc(F)ccc21

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.58
AKR1C3 P42330 1/20 0.49
AKR1C1 Q04828 1/20 0.49
HTR2A P28223 1/20 0.48
HTR7 P34969 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46

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
SCHEMBL16698319 0.89 HTR6 (0.49) HTR6AKR1C3AKR1C1HTR2ACA12
SCHEMBL29377395 0.86 HTR6 (0.52) HTR6CA1CA2LMNACYP3A4
SCHEMBL12449919 0.86 HTR6 (0.52) HTR6CA1CA2LMNACYP3A4
SCHEMBL29651100 0.85 HTR6 (0.64) HTR6AKR1C3AKR1C1HTR2AHTR7
SCHEMBL1996382 0.85 HTR6 (0.64) HTR6AKR1C3AKR1C1HTR2AHTR7
SCHEMBL4334765 0.83 HTR6 (0.52) HTR6AKR1C3AKR1C1CA12CA1
SCHEMBL19737423 0.83 HTR6 (0.59) HTR6AKR1C3AKR1C1HTR7CA12
SCHEMBL12954860 0.83 HTR6 (0.58) HTR6HTR2AHTR7LMNASMN1; SMN2
SCHEMBL19737553 0.81 HTR6 (0.49) HTR6AKR1C3AKR1C1HTR7CA12
SCHEMBL1468385 0.81 AKR1C3 (0.60) HTR6AKR1C3AKR1C1HTR2AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2548863-A1 New CRTh2 antagonists. Almirall, S.A. (ES) 2013-01-23 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
US-7776910-B2 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors ROCHE PALO ALTO LLC (US) 2010-08-17 US disclosed
CN-101573332-A Arylsulfonyl pyrrolidines as 5-HT6 inhibitors HOFFMANN LA ROCHE (CH) 2009-11-04 CN 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
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 HTR6 1/4885AKR1C3 2617/4885AKR1C1 2311/4885

“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.