SCHEMBL1031702

SCHEMBL1031702

Cc1ccc(S(=O)(=O)OC[C@@H](C)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
PKM P14618 1/20 0.42
VDR P11473 1/20 0.42
CNR2 P34972 1/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
DHODH Q02127 1/20 0.41
STAT3 P40763 1/20 0.41

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
SCHEMBL1032100 1.00 ALDH1A1 (0.44) ALDH1A1CA12CA9CYP1A2CYP3A4
SCHEMBL1031704 1.00 ALDH1A1 (0.44) ALDH1A1CA12CA9CYP1A2CYP3A4
SCHEMBL4432214 0.87 CA12 (0.46) ALDH1A1CA12CA9CYP1A2CYP3A4
SCHEMBL11192642 0.87 STAT3 (0.45) ALDH1A1CA12CA9CA1CA2
SCHEMBL25403099 0.86 ALDH1A1 (0.45) ALDH1A1CA12CA9CYP1A2CYP3A4
SCHEMBL18092987 0.85 ALDH1A1 (0.45) ALDH1A1CA12CA9CYP1A2CYP3A4
SCHEMBL18092988 0.85 ALDH1A1 (0.45) ALDH1A1CA12CA9CYP1A2CYP3A4
SCHEMBL11189128 0.85 MAPT (0.51) ALDH1A1CA12CA9CYP3A4CA1
SCHEMBL4920359 0.83 PKM (0.53) ALDH1A1PKMVDRHTTSMN1; SMN2
SCHEMBL13075431 0.83 TACR1 (0.47) ALDH1A1CA12CA9CA1CA2

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-1809597-B1 AMINOETHYLAROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2012-01-11 EP disclosed
EP-2371814-A1 Aminoethylaromatic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor Abbott GmbH & Co. KG (DE) 2011-10-05 EP disclosed
EP-1812389-B1 AZABICYCLOHEPTYL COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2011-08-17 EP disclosed
US-20110144146-A1 Aminomethyl Substituted Bicyclic Aromatic Compounds Suitable for Treating Disorders That Respond to Modulation of the Dopamine D3 Receptor ABBOTT GMBH & CO. KG 2011-06-16 US disclosed
EP-2311801-A1 6-amino(aza)indane compounds suitable for treating disorders that respond to modulation of the dopamine d3 receptor Abbott GmbH & Co. KG (DE) 2011-04-20 EP disclosed
EP-2311802-A1 Heterocyclic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor Abbott GmbH & Co. KG (DE) 2011-04-20 EP disclosed
EP-2311803-A1 Heterocyclic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor Abbott GmbH & Co. KG (DE) 2011-04-20 EP disclosed
EP-1814849-B1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2011-04-06 EP disclosed
EP-1809598-B1 AMINOMETHYL SUBSTITUTED BICYCLIC AROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2011-03-16 EP disclosed
EP-2013179-B1 ARYLOXYETHYLAMINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2011-01-19 EP 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-20110144146-A1 Aminomethyl Substituted Bicyclic Aromatic Compounds Suitable for Treating Disorders That Respond to Modulation of the Dopamine D3 Receptor CHRNA3, HCRTR2, CRHR2 ALDH1A1 2353/4885CA12 2407/4885CA9 3833/4885

“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.