SCHEMBL3840488

SCHEMBL3840488

O=S(=O)(c1ccccc1)C1(O)CCCc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
AKR1B1 P15121 10/20 0.40
KDM1A O60341 1/20 0.40
HDAC9 Q9UKV0 1/20 0.39
HTR2A P28223 1/20 0.38
RORC P51449 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
SCHEMBL16738809 0.90 GAA (0.44) GAAMCOLN3KDM1AHDAC9HTR2A
SCHEMBL3841136 0.78 GAA (0.46) GAAMCOLN3AKR1B1KDM1AHTR2A
SCHEMBL315669 0.78 GAA (0.42) GAAMCOLN3AKR1B1KDM1AHDAC9
SCHEMBL315173 0.78 GAA (0.42) GAAMCOLN3AKR1B1KDM1AHDAC9
SCHEMBL27688428 0.76 GAA (0.44) GAAMCOLN3AKR1B1KDM1AHTR2A
SCHEMBL315713 0.76 GAA (0.41) GAAMCOLN3AKR1B1HDAC9HTR2A
SCHEMBL316238 0.75 GAA (0.42) GAAMCOLN3AKR1B1KDM1AHTR2A
SCHEMBL314642 0.74 GAA (0.39) GAAMCOLN3AKR1B1KDM1AHDAC9
SCHEMBL3844775 0.73 HTR6 (0.39) GAAMCOLN3AKR1B1KDM1AHTR2A
SCHEMBL316500 0.73 GAA (0.41) GAAMCOLN3AKR1B1KDM1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831189-B1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2009-11-11 EP disclosed
US-7576103-B2 Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2009-08-18 US disclosed
US-7473690-B2 Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2009-01-06 US disclosed
EP-1831152-B1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF AS 5-HT ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-09-24 EP disclosed
EP-1831189-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF F. Hoffmann-Roche AG (CH) 2007-09-12 EP disclosed
EP-1831152-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF AS 5-HT ANTAGONISTS F. Hoffmann-Roche AG (CH) 2007-09-12 EP disclosed
US-20060160825-A1 Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC 2006-07-20 US disclosed
US-20060154965-A1 Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC 2006-07-13 US disclosed
WO-2006066748-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF AS 5-HT ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 WO disclosed
WO-2006066745-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF 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-20060160825-A1 Tetralin and indane derivatives and uses thereof INSRR, RIF1, TTR GAA 3526/4885MCOLN3 335/4885AKR1B1 950/4885
US-20060154965-A1 Tetralin and indane derivatives and uses thereof INSRR, RIF1, TTR GAA 3526/4885MCOLN3 335/4885AKR1B1 950/4885

“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.